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2G75
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Crystal Structure of anti-SARS m396 Antibody
分子名称: IGG Heavy Chain, IGG Light Chain
著者Prabakaran, P, Gan, J.H, Feng, Y, Zhu, Z.Y, Xiao, X.D, Ji, X, Dimitrov, D.S.
登録日2006-02-27
公開日2006-04-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of severe acute respiratory syndrome coronavirus receptor-binding domain complexed with neutralizing antibody.
J.Biol.Chem., 281, 2006
2GD0
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The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
分子名称: (S)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR
著者Bhaumik, P, Wierenga, R.K.
登録日2006-03-15
公開日2007-02-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
8RDZ
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BU of 8rdz by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, Ibrutinib (unbound form), ...
著者Raux, B, Huber, K.V.M.
登録日2023-12-09
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
5CYO
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BU of 5cyo by Molmil
High resolution Septin 9 GTPase domain in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-9
著者Matos, S.S, Leonardo, D.A, Pereira, H.M, Horjales, E, Araujo, A.P.U, Garratt, R.C.
登録日2015-07-30
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.0354 Å)
主引用文献A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
8SH8
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Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
分子名称: Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
8S0Q
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A fragment-based inhibitor of SHP2
分子名称: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
5D01
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BU of 5d01 by Molmil
Crystal structure of BshA from B. subtilis complexed with N-acetylglucosaminyl-malate
分子名称: (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid, N-acetyl-alpha-D-glucosaminyl L-malate synthase
著者Cook, P.D, Winchell, K.R.
登録日2015-08-02
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A Structural, Functional, and Computational Analysis of BshA, the First Enzyme in the Bacillithiol Biosynthesis Pathway.
Biochemistry, 55, 2016
5D6V
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PduJ K25A mutant, from Salmonella enterica serovar Typhimurium LT2, PduJ mutant
分子名称: Carboxysome shell protein
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2015-08-13
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The function of the PduJ microcompartment shell protein is determined by the genomic position of its encoding gene.
Mol.Microbiol., 101, 2016
2G98
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BU of 2g98 by Molmil
human gamma-D-crystallin
分子名称: Gamma crystallin D
著者Kmoch, S, Brynda, J, Awsav, B, Bezouska, K, Novak, P, Rezacova, P.
登録日2006-03-06
公開日2006-05-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Link between a novel human gamma-D-crystallin allele and a unique cataract phenotype explained by protein crystallography.
Hum.Mol.Genet., 12, 2000
5D12
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BU of 5d12 by Molmil
Kinase domain of cSrc in complex with RL40
分子名称: N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Becker, C, Richters, A, Engel, J, Rauh, D.
登録日2015-08-03
公開日2015-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
2G9G
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BU of 2g9g by Molmil
Crystal structure of His-tagged mouse PNGase C-terminal domain
分子名称: GLYCEROL, SULFATE ION, peptide N-glycanase
著者Zhou, X, Zhao, G, Wang, L, Li, G, Lennarz, W.J, Schindelin, H.
登録日2006-03-06
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical studies of the C-terminal domain of mouse peptide-N-glycanase identify it as a mannose-binding module.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8S0S
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BU of 8s0s by Molmil
A fragment-based inhibitor of SHP2
分子名称: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0K
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A fragment-based inhibitor of SHP2
分子名称: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8SH7
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BU of 8sh7 by Molmil
TUBB4B and TUBA1A Heterodimer from Human Respiratory Doublet Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Anderson, J.R, Gui, M, Brown, A.
登録日2023-04-13
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献TUBB4B variants specifically impact ciliary function, causing a ciliopathic spectrum
To Be Published
2GC4
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BU of 2gc4 by Molmil
Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
分子名称: Amicyanin, COPPER (II) ION, Cytochrome c-L, ...
著者Chen, Z, Durley, R, Davidson, V.L, Mathews, F.S.
登録日2006-03-13
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
To be Published
8SH6
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Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
分子名称: Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
To Be Published
8RGH
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BU of 8rgh by Molmil
Structure of dynein-2 intermediate chain DYNC2I1 (WDR60) in complex with the dynein-2 heavy chain DYNC2H1.
分子名称: Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Cytoplasmic dynein 2 light intermediate chain 1, ...
著者Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J.
登録日2023-12-13
公開日2024-03-20
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
8RF9
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CgsiGP1 sample in nanodisc
分子名称: Cyclic beta 1-2 glucan synthetase
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
8S0H
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A fragment-based inhibitor of SHP2
分子名称: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
5D92
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Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum
分子名称: 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, ...
著者Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F.
登録日2015-08-18
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural basis for phosphatidylinositol-phosphate biosynthesis.
Nat Commun, 6, 2015
5D2R
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BU of 5d2r by Molmil
Inhibitor Bound Cell Shape Determinant Protein Csd4 from Helicobacter pylori
分子名称: (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid, Conserved hypothetical secreted protein, IODIDE ION, ...
著者Chan, A.C, Murphy, M.E.
登録日2015-08-06
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Bacterial Cell Shape-Determining Inhibitor.
Acs Chem.Biol., 11, 2016
2GD8
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BU of 2gd8 by Molmil
Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate
分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ...
著者De Simone, G, Di Fiore, A.
登録日2006-03-15
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
J.Med.Chem., 49, 2006
8S04
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A fragment-based inhibitor of SHP2
分子名称: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8R5K
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The Fk1 domain of FKBP51 in complex with Antascomicine B
分子名称: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, M.A, Bracher, A, Hausch, F.
登録日2023-11-16
公開日2024-05-08
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
2GDR
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Crystal structure of a bacterial glutathione transferase
分子名称: GLUTATHIONE, glutathione S-transferase
著者Tocheva, E.I, Fortin, P.D, Eltis, L.D, Murphy, M.E.P.
登録日2006-03-16
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Ternary Complexes of BphK, a Bacterial Glutathione S-Transferase That Reductively Dechlorinates Polychlorinated Biphenyl Metabolites.
J.Biol.Chem., 281, 2006

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