6QZ8
 
 | | Structure of Mcl-1 in complex with compound 10d | | 分子名称: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6DCX
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6DQW
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6R04
 | | T. cruzi FPPS | | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6DRH
 | | ADP-ribosyltransferase toxin/immunity pair | | 分子名称: | ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein, ... | | 著者 | Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D. | | 登録日 | 2018-06-11 | | 公開日 | 2018-10-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins.
Cell, 175, 2018
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6R08
 | | T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid | | 分子名称: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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3HEP
 | | Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified | | 分子名称: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2009-05-09 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
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6DDJ
 | | Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2 | | 著者 | White, S.W, Yun, M. | | 登録日 | 2018-05-10 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
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4OK1
 | | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | | 分子名称: | Androgen receptor, R-BICALUTAMIDE, co-regulator peptide | | 著者 | Liu, J.S, Hsu, C.L, Wu, W.G. | | 登録日 | 2014-01-21 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
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6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | 分子名称: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | 登録日 | 2018-05-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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2GDE
 | | Thrombin in complex with inhibitor | | 分子名称: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | | 著者 | Xue, Y. | | 登録日 | 2006-03-16 | | 公開日 | 2007-03-20 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128, 2006
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6DFT
 | | Trypanosoma brucei deoxyhypusine synthase | | 分子名称: | Deoxyhypusine synthase, Deoxyhypusine synthase regulatory subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Tomchick, D.R, Phillips, M.A, Afanador, G.A. | | 登録日 | 2018-05-15 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Trypanosomatid Deoxyhypusine Synthase Activity Is Dependent on Shared Active-Site Complementation between Pseudoenzyme Paralogs.
Structure, 26, 2018
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6QYP
 | | Structure of Mcl-1 in complex with compound 13 | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-09 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QZ5
 | | Structure of Mcl-1 in complex with compound 8a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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4FDC
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5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | 著者 | Najeeb, J, Lee, C.-J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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6QNC
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint | | 分子名称: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | 著者 | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | 登録日 | 2019-02-10 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6QNJ
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 s timepoint | | 分子名称: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | 著者 | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | 登録日 | 2019-02-11 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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2G60
 | | Structure of anti-FLAG M2 Fab domain | | 分子名称: | anti-FLAG M2 Fab heavy chain, anti-FLAG M2 Fab light chain | | 著者 | Roosild, T.P. | | 登録日 | 2006-02-23 | | 公開日 | 2006-09-12 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of anti-FLAG M2 Fab domain and its use in the stabilization of engineered membrane proteins.
Acta Crystallogr.,Sect.F, 62, 2006
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3V4A
 | | Structure of ar lbd with activator peptide and sarm inhibitor 2 | | 分子名称: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | | 著者 | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | | 登録日 | 2011-12-14 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
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6QXW
 | | Pink beam serial crystallography: Lysozyme, 5 us exposure, 24344 patterns merged (3 chips) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Lieske, J, Tolstikova, A, Meents, A. | | 登録日 | 2019-03-08 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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6QXY
 | | Pink beam serial crystallography: Lysozyme, 5 us exposure, 8813 patterns merged (1 chip) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Lieske, J, Tolstikova, A, Meents, A. | | 登録日 | 2019-03-08 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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6QY2
 | | Pink beam serial crystallography: Lysozyme, 5 us exposure, 750 patterns merged | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Lieske, J, Tolstikova, A, Meents, A. | | 登録日 | 2019-03-08 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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4OIU
 | | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | | 分子名称: | Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide | | 著者 | Liu, J.S, Hsu, C.L, Wu, W.G. | | 登録日 | 2014-01-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
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6QY5
 | | Pink beam serial crystallography: Lysozyme, 1 us exposure, 4448 patterns merged (1 chip) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Lieske, J, Tolstikova, A, Meents, A. | | 登録日 | 2019-03-08 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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