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4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
8IPT
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BU of 8ipt by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the occluded ATP bound state
分子名称: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPS
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BU of 8ips by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the inward facing heme loading state
分子名称: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPR
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BU of 8ipr by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the outward facing ATP bound state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, MAGNESIUM ION, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPQ
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BU of 8ipq by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the inward facing apo state
分子名称: Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, Transmembrane ATP-binding protein ABC transporter cydD
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
分子名称: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
2BYG
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BU of 2byg by Molmil
2nd PDZ Domain of Discs Large Homologue 2
分子名称: CHANNEL ASSOCIATED PROTEIN OF SYNAPSE-110
著者Elkins, J.M, Schoch, G.A, Smee, C.E.A, Berridge, G, Salah, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2005-08-01
公開日2005-08-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
2HE2
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BU of 2he2 by Molmil
Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2
分子名称: Discs large homolog 2
著者Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-06-17
公開日2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (4.79 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
4R99
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BU of 4r99 by Molmil
Crystal structure of a uricase from Bacillus fastidious
分子名称: SULFATE ION, Uricase
著者Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
登録日2014-09-03
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
分子名称: 6-PHOSPHO-BETA-GLUCOSIDASE
著者Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
登録日2003-09-26
公開日2004-11-18
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
1UP6
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BU of 1up6 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima.
J.Am.Chem.Soc., 126, 2004
4R8X
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BU of 4r8x by Molmil
Crystal structure of a uricase from Bacillus fastidious
分子名称: Uricase
著者Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
登録日2014-09-03
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
1UP7
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BU of 1up7 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
3V86
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Computational Design of a Protein Crystal
分子名称: De novo design helix
著者Acharya, R, North, B, Saven, J, DeGrado, W.
登録日2011-12-22
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-26
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
登録日2020-08-04
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021

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