Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7WN7
DownloadVisualize
BU of 7wn7 by Molmil
Crystal structure of HearNPV P26
Descriptor: CHLORIDE ION, SULFATE ION, p26
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2022-01-17
Release date:2022-11-23
Last modified:2023-01-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual roles and evolutionary implications of P26/poxin in antagonizing intracellular cGAS-STING and extracellular melanization immunity.
Nat Commun, 13, 2022
5XTO
DownloadVisualize
BU of 5xto by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (H114A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTR
DownloadVisualize
BU of 5xtr by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (R127A, E183A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTN
DownloadVisualize
BU of 5xtn by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (C155A, C158A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTP
DownloadVisualize
BU of 5xtp by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (H227A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTQ
DownloadVisualize
BU of 5xtq by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (H227D mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
6J02
DownloadVisualize
BU of 6j02 by Molmil
Crystal structure of the SRCR domain of mouse SCARA1
Descriptor: CALCIUM ION, Macrophage scavenger receptor types I and II
Authors:Cheng, C, Hu, Z.
Deposit date:2018-12-20
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:The scavenger receptor SCARA1 (CD204) recognizes dead cells through spectrin.
J.Biol.Chem., 294, 2019
6JLI
DownloadVisualize
BU of 6jli by Molmil
Crystal structure of CTLD7 domain of human PLA2R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Secretory phospholipase A2 receptor
Authors:Yu, B, Hu, Z, Kong, D, Cheng, C, He, Y.
Deposit date:2019-03-06
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:Crystal structure of the CTLD7 domain of human M-type phospholipase A2 receptor.
J.Struct.Biol., 207, 2019
4Y8X
DownloadVisualize
BU of 4y8x by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Z
DownloadVisualize
BU of 4y8z by Molmil
Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Y
DownloadVisualize
BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
6C0S
DownloadVisualize
BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7JNT
DownloadVisualize
BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-05
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7JOU
DownloadVisualize
BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
7JOV
DownloadVisualize
BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
8GDS
DownloadVisualize
BU of 8gds by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH 4-(4-(2-(2,3-DIHYDRO-1H- INDOL-1-YL)-2-OXOETHYL)PHENYL)-1(2H)-PHTHALAZINONE
Descriptor: 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one, Rho-associated protein kinase 2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2023-03-06
Release date:2023-05-10
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Phthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors.
Bioorg.Med.Chem.Lett., 88, 2023
5Z15
DownloadVisualize
BU of 5z15 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-12-25
Release date:2018-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5Z14
DownloadVisualize
BU of 5z14 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-12-25
Release date:2018-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
1Y29
DownloadVisualize
BU of 1y29 by Molmil
Three dimensional solution structure of huwentoxin-x by 2D 1H-NMR
Descriptor: huwentoxin-x
Authors:Liu, Z, Liang, S.
Deposit date:2004-11-22
Release date:2004-12-07
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Function and solution structure of Huwentoxin-X, a specific blocker of N-type calcium channels, from the Chinese bird spider Ornithoctonus huwena
J.Biol.Chem., 281, 2006
6XOG
DownloadVisualize
BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
DownloadVisualize
BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
DownloadVisualize
BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5QQP
DownloadVisualize
BU of 5qqp by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
5QQO
DownloadVisualize
BU of 5qqo by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
Authors:Sheriff, S.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
5HU9
DownloadVisualize
BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
Descriptor: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2016-01-27
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon