ISDA: 10MV

Deposition Date 2026-01-28

Release Date 2026-04-01

Last Version Date 2026-04-01

Entry Detail

PDB ID:

10MV

Keywords:

HYDROLASE/INHIBITOR

Title:

N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors complex with Compound 15 ((3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one)

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Komagataella pastoris

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.66 Å

R-Value Free:

0.22

R-Value Work:

0.20

Space Group:

P 21 21 2

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Plasma kallikrein
Gene (Uniprot):KLKB1
Mutagens:C383S, C503S
Chain IDs:A
Chain Length:275
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P03952 Pfam ID:PF00089 EC:3.4.21.34

Ligand Molecules

A1C6X

MES

NAG

Primary Citation

N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors.

Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Esmay, J, Yang, S, Cheng, A.C, Ellsworth, K, Ogawa, A, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A.K.Show

Acs Med.Chem.Lett. 17 744 749 (2026)

PMID: 41847638 DOI: 10.1021/acsmedchemlett.6c00066

Primary Citation of related structures

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