5MZ3
 
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Cowan-Jacob, S.W, Scheufler, C. | | 登録日 | 2017-01-30 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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8AVY
 | | The ABCB1 L335C mutant (mABCB1) in the Apo state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-08-27 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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5LQ3
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6M0J
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Wang, X, Lan, J, Ge, J, Yu, J, Shan, S. | | 登録日 | 2020-02-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Nature, 581, 2020
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3IBD
 | | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | | 登録日 | 2009-07-15 | | 公開日 | 2010-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.
Mol.Pharmacol., 77, 2010
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3I7G
 | | MMP-13 in complex with a non zinc-chelating inhibitor | | 分子名称: | 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ... | | 著者 | Farrow, N.A. | | 登録日 | 2009-07-08 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3I7I
 | | MMP-13 in complex with a non zinc-chelating inhibitor | | 分子名称: | CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ... | | 著者 | Farrow, N.A, Margarit, S.M. | | 登録日 | 2009-07-08 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.208 Å) | | 主引用文献 | Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3KFP
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3KF0
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3KFS
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3KFN
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3JBZ
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3KFR
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3KUO
 | | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | | 分子名称: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | | 登録日 | 2009-11-27 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
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5ULA
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6U4Y
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3KUN
 | | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | | 分子名称: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | | 登録日 | 2009-11-27 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
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4Q9J
 | | P-glycoprotein cocrystallised with QZ-Val | | 分子名称: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | | 著者 | McGrath, A.P, Szewczyk, P, Chang, G. | | 登録日 | 2014-05-01 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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4Q9H
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4QEC
 | | ElxO with NADP Bound | | 分子名称: | ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | 著者 | Garg, N, Nair, S.K. | | 登録日 | 2014-05-15 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO.
Acs Chem.Biol., 9, 2014
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4Q9K
 | | P-glycoprotein cocrystallised with QZ-Leu | | 分子名称: | (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A | | 著者 | McGrath, A.P, Szewczyk, P, Chang, G. | | 登録日 | 2014-05-01 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | 分子名称: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | 登録日 | 2023-01-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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4Q9I
 | | P-glycoprotein cocrystallised with QZ-Ala | | 分子名称: | (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A | | 著者 | McGrath, A.P, Szewczyk, P, Chang, G. | | 登録日 | 2014-05-01 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.781 Å) | | 主引用文献 | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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4Q9L
 | | P-glycoprotein cocrystallised with QZ-Phe | | 分子名称: | (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A | | 著者 | McGrath, A.P, Szewczyk, P, Chang, G. | | 登録日 | 2014-05-01 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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4QED
 | | ElxO Y152F with NADPH Bound | | 分子名称: | ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | 著者 | Garg, N, Nair, S.K. | | 登録日 | 2014-05-15 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO.
Acs Chem.Biol., 9, 2014
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