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4JBJ
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BU of 4jbj by Molmil
Structural mimicry for functional antagonism
Descriptor: Interferon-activable protein 202
Authors:Ru, H, Ni, X, Ma, F, Zhao, L, Ding, W, Hung, L.-W, Shaw, N, Cheng, G, Liu, Z.-J.
Deposit date:2013-02-19
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Structural basis for termination of AIM2-mediated signaling by p202
Cell Res., 23, 2013
7VUX
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BU of 7vux by Molmil
Complex structure of PD1 and 609A-Fab
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X.
Deposit date:2021-11-04
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties.
Mabs, 14, 2022
8FEH
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BU of 8feh by Molmil
CryoEM structure of bacteriophage Q-beta coat protein dimer with AYGG linker
Descriptor: Minor capsid protein A1 fusion
Authors:Newton, T.P, Zhao, L, Finn, M.G, Kopylov, M.
Deposit date:2022-12-06
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:CryoEM structure of bacteriophage Q-beta coat protein dimer with AYGG linker
To Be Published
7DUQ
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BU of 7duq by Molmil
Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7DUR
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BU of 7dur by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7EVM
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BU of 7evm by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-05-21
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7XH0
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BU of 7xh0 by Molmil
crystal structure of Csn-PD from Paenibacillus dendritiformis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase
Authors:Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L.
Deposit date:2022-04-07
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:crystal structure of Csn-PD from Paenibacillus dendritiformis
To Be Published
7X3O
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BU of 7x3o by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
Descriptor: (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
To Be Published
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
Descriptor: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
Descriptor: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7WQR
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BU of 7wqr by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28
Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQS
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BU of 7wqs by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25
Descriptor: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
Deposit date:2022-01-26
Release date:2023-01-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQM
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BU of 7wqm by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24
Descriptor: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WOT
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BU of 7wot by Molmil
Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex
Descriptor: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
Authors:Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
Deposit date:2022-01-22
Release date:2022-04-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
7WOO
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BU of 7woo by Molmil
Cryo-EM structure of the inner ring protomer of the Saccharomyces cerevisiae nuclear pore complex
Descriptor: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
Authors:Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
Deposit date:2022-01-22
Release date:2022-04-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3PA4
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BU of 3pa4 by Molmil
X-ray crystal structure of compound 2a bound to human CHK1 kinase domain
Descriptor: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA5
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BU of 3pa5 by Molmil
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Descriptor: 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA3
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BU of 3pa3 by Molmil
X-ray crystal structure of compound 70 bound to human CHK1 kinase domain
Descriptor: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4DU0
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BU of 4du0 by Molmil
Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant)
Descriptor: CHLORIDE ION, GLYCEROL, Neutrophil defensin 1
Authors:Wu, X, Lu, W, Pazgier, M.
Deposit date:2012-02-21
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1
J.Biol.Chem., 287, 2012
8WSS
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BU of 8wss by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 1 with MCH
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
Deposit date:2023-10-17
Release date:2024-06-19
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
8WST
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BU of 8wst by Molmil
Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha-1, ...
Authors:Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C.
Deposit date:2023-10-17
Release date:2024-06-19
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors.
Cell Discov, 10, 2024
4LB1
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BU of 4lb1 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/F28A mutant
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013

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PDB entries from 2024-07-17

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