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6AH5
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BU of 6ah5 by Molmil
Structure of human P2X3 receptor in complex with ATP and Mg2+ ion
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hattori, M.
Deposit date:2018-08-16
Release date:2019-06-12
Last modified:2020-12-23
Method:X-RAY DIFFRACTION (3.819 Å)
Cite:Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP.
Elife, 8, 2019
3IUR
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BU of 3iur by Molmil
apPEP_D266Nx+H2H3 opened state
Descriptor: GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IVM
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BU of 3ivm by Molmil
apPEP_WT+PP closed state
Descriptor: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-09-01
Release date:2010-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUQ
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BU of 3iuq by Molmil
apPEP_D622N+PP closed state
Descriptor: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
Descriptor: GLYCEROL, Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
Descriptor: Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Kong, X.-D, Xu, J.-H, Zhou, J.
Deposit date:2016-11-10
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
4LLF
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BU of 4llf by Molmil
Crystal structure of Cucumber Necrosis Virus
Descriptor: CALCIUM ION, Capsid protein, ZINC ION
Authors:Smith, T.
Deposit date:2013-07-09
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8891 Å)
Cite:Atomic structure of cucumber necrosis virus and the role of the capsid in vector transmission.
J.Virol., 87, 2013
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7DG0
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BU of 7dg0 by Molmil
Structure and function of Diadenylate cyclase DacM in Mycoplasma ovipneumoniae
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DAC domain-containing protein
Authors:Fan, S.L.
Deposit date:2020-11-10
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure and function of Diadenylate cyclase DacM in Mycoplasma ovipneumoniae
To Be Published
7WA9
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BU of 7wa9 by Molmil
Crystal structure of MSMEG_5634 from Mycobacterium smegmatis
Descriptor: MSMEG_5634
Authors:Wang, Z, Zhang, W.
Deposit date:2021-12-12
Release date:2022-10-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Acyl-AcpM-Binding Protein Confers Intrinsic Sensitivity to Fatty Acid Synthase Type II Inhibitors in Mycobacterium smegmatis
Front Microbiol, 13, 2022
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
2R2O
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BU of 2r2o by Molmil
Crystal structure of the effector domain of human Plexin B1
Descriptor: Plexin-B1, UNKNOWN ATOM OR ION
Authors:Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-08-27
Release date:2007-09-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Rac1, Rnd1, and RhoD to a novel Rho GTPase interaction motif destabilizes dimerization of the plexin-B1 effector domain.
J.Biol.Chem., 282, 2007
8WE3
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BU of 8we3 by Molmil
Crystal structure of human FABP4 complexed with C7
Descriptor: 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Xie, H, Chen, G.F, Xu, Y.C, Li, M.J.
Deposit date:2023-09-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
8W4S
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BU of 8w4s by Molmil
Crystal structure of PDE5A in complex with CVT-313
Descriptor: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4T
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BU of 8w4t by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8Z97
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BU of 8z97 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription elongation conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8N
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BU of 8z8n by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9R
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BU of 8z9r by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9Q
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BU of 8z9q by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024

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PDB entries from 2024-06-12

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