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5NJI
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BU of 5nji by Molmil
Structure of the dehydratase domain of PpsC from Mycobacterium tuberculosis in complex with C12:1-CoA
分子名称: Phthiocerol/phenolphthiocerol synthesis polyketide synthase type I PpsC, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-dodec-2-enethioate
著者Gavalda, S, Faille, A, Mourey, L, Pedelacq, J.D.
登録日2017-03-28
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
1CXW
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THE SECOND TYPE II MODULE FROM HUMAN MATRIX METALLOPROTEINASE 2
分子名称: HUMAN MATRIX METALLOPROTEINASE 2
著者Briknarova, K, Grishaev, A, Banyai, L, Tordai, H, Patthy, L, Llinas, M.
登録日1999-08-31
公開日1999-11-12
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献The second type II module from human matrix metalloproteinase 2: structure, function and dynamics.
Structure Fold.Des., 7, 1999
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
5NLR
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BU of 5nlr by Molmil
Auxiliary activity 9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L.
登録日2017-04-04
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
1CVI
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BU of 1cvi by Molmil
CRYSTAL STRUCTURE OF HUMAN PROSTATIC ACID PHOSPHATASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, GLYCINE, ...
著者Jakob, C.G, Lewinski, K, Kuciel, R, Ostrowski, W, Lebioda, L.
登録日1999-08-23
公開日1999-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of human prostatic acid phosphatase .
Prostate, 42, 2000
5NPF
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BU of 5npf by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ...
著者Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
登録日2017-04-16
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
4OHE
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BU of 4ohe by Molmil
LEOPARD Syndrome-Associated SHP2/G464A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
1SY6
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BU of 1sy6 by Molmil
Crystal Structure of CD3gammaepsilon Heterodimer in Complex with OKT3 Fab Fragment
分子名称: OKT3 Fab heavy chain, OKT3 Fab light chain, T-cell surface glycoprotein CD3 gamma/epsilon chain
著者Kjer-Nielsen, L, Dunstone, M.A, Kostenko, L, Ely, L.K, Beddoe, T, Misfud, N.A, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J.
登録日2004-03-31
公開日2004-05-25
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the human T cell receptor CD3(epsilon)(gamma) heterodimer complexed to the therapeutic mAb OKT3.
Proc.Natl.Acad.Sci.USA, 101, 2004
5DEU
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BU of 5deu by Molmil
Crystal structure of TET2-5hmC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ...
著者Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
登録日2015-08-26
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
4H76
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BU of 4h76 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2012-09-20
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
6OAD
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BU of 6oad by Molmil
2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655.
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ...
著者Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-03-15
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
1UYD
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BU of 1uyd by Molmil
Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine
分子名称: 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY8
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BU of 1uy8 by Molmil
Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine
分子名称: 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
2B92
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BU of 2b92 by Molmil
Crystal-structure of the N-terminal Large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with GDP/AlF3
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Interferon-induced guanylate-binding protein 1, ...
著者Ghosh, A, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日2005-10-10
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献How guanylate-binding proteins achieve assembly-stimulated processive cleavage of GTP to GMP.
Nature, 440, 2006
1UWF
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BU of 1uwf by Molmil
1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli
分子名称: FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside
著者Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H.
登録日2004-02-05
公開日2005-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin.
Mol.Microbiol., 55, 2005
5AAN
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BU of 5aan by Molmil
Crystal structure of Drosophila NCS-1 bound to penothiazine FD44
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CG5907-PA, ...
著者Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J.
登録日2015-07-27
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
分子名称: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
登録日2014-01-08
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
5NP9
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Crystal structure of Bacillus subtilis YdiB in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA threonylcarbamoyladenosine biosynthesis protein TsaE
著者Ballut, L, Aghajari, N.
登録日2017-04-13
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Expanding the Kinome World: A New Protein Kinase Family Widely Conserved in Bacteria.
J. Mol. Biol., 429, 2017
5NPD
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Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021
分子名称: (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
著者Wu, L, Davies, G.J.
登録日2017-04-16
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
4ZY6
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Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4OHI
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LEOPARD Syndrome-Associated SHP2/Q510E mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
3GUW
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Crystal Structure of the TatD-like Protein (AF1765) from Archaeoglobus fulgidus, Northeast Structural Genomics Consortium Target GR121
分子名称: ZINC ION, uncharacterized protein AF_1765
著者Forouhar, F, Su, M, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-03-30
公開日2009-04-07
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Northeast Structural Genomics Consortium Target GR121
To be Published
4ZY5
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Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015

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