4RTS
 
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6BKE
 | | BTK complex with compound 10 | | 分子名称: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X. | | 登録日 | 2017-11-08 | | 公開日 | 2018-11-07 | | 最終更新日 | 2019-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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6BIK
 | | BTK complex with compound 7 | | 分子名称: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ... | | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | | 登録日 | 2017-11-02 | | 公開日 | 2018-11-07 | | 最終更新日 | 2019-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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6BKH
 | | BTK complex with compound 11 | | 分子名称: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | | 登録日 | 2017-11-08 | | 公開日 | 2018-11-07 | | 最終更新日 | 2019-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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4RNW
 | | Truncated version of the G303 Circular Permutation of Old Yellow Enzyme | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | 登録日 | 2014-10-26 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | | 主引用文献 | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4RTR
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4RTO
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6D3S
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6CJO
 | | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | | 分子名称: | Chalcone--flavonone isomerase 1, SULFATE ION | | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | 登録日 | 2018-02-26 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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4ODH
 | | Crystal structure of human Fab CAP256-VRC26.UCA, a potent V1V2-directed HIV-1 neutralizing antibody | | 分子名称: | CAP256-VRC26.UCA heavy chain, CAP256-VRC26.UCA light chain | | 著者 | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | | 登録日 | 2014-01-10 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | | 主引用文献 | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
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4OWA
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6BQM
 | | Secreted serine protease VesC from Vibrio cholerae | | 分子名称: | serine protease VesC | | 著者 | Park, Y.J, Korotkov, K.V, Delarosa, J.R, Turley, S, DiMaio, F, Hol, W.G.J. | | 登録日 | 2017-11-28 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Suppressor Mutations in Type II Secretion Mutants of Vibrio cholerae: Inactivation of the VesC Protease.
Msphere, 5, 2020
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4OWE
 | | PtCl6 binding to HEWL | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | | 登録日 | 2014-01-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
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6AV9
 | | CryoEM structure of Mical Oxidized Actin (Class 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | 著者 | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | | 登録日 | 2017-09-01 | | 公開日 | 2018-01-17 | | 最終更新日 | 2019-11-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Catastrophic disassembly of actin filaments via Mical-mediated oxidation.
Nat Commun, 8, 2017
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4PLF
 | | Crystal structure of ancestral apicomplexan lactate dehydrogenase with lactate. | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ... | | 著者 | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | 登録日 | 2014-05-16 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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4PLZ
 | | Crystal structure of Plasmodium falciparum lactate dehydrogenase mutant W107fA. | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase, OXAMIC ACID | | 著者 | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | 登録日 | 2014-05-20 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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6B0Q
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6BAB
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6BB5
 | | Human Oxy-Hemoglobin | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | 著者 | Gumpper, R.H, Terrell, J.R, Luo, M. | | 登録日 | 2017-10-16 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
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4PLY
 | | Crystal structure of ancestral apicomplexan malate dehydrogenase with malate. | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRUVIC ACID, malate dehydrogenase | | 著者 | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | 登録日 | 2014-05-19 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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4PLG
 | | Crystal structure of ancestral apicomplexan lactate dehydrogenase with oxamate. | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... | | 著者 | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | 登録日 | 2014-05-16 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.192 Å) | | 主引用文献 | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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4RTJ
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6BN5
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | | 分子名称: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
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4RNX
 | | K154 Circular Permutation of Old Yellow Enzyme | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1 | | 著者 | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | 登録日 | 2014-10-26 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4RTN
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