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6LR9
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BU of 6lr9 by Molmil
HSP90 in complex with Debio0932
分子名称: 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-15
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
7JTM
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BU of 7jtm by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST
分子名称: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者Sack, J.S.
登録日2020-08-18
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
分子名称: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
著者Shen, L, Zhang, Y.
登録日2016-05-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
3KY9
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BU of 3ky9 by Molmil
Autoinhibited Vav1
分子名称: Proto-oncogene vav, ZINC ION
著者Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B.
登録日2009-12-04
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.731 Å)
主引用文献Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
6D39
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BU of 6d39 by Molmil
Photodissociable dimeric Dronpa green fluorescent protein variant V (pdDronpaV)
分子名称: Fluorescent protein Dronpa, SULFATE ION
著者Zhou, X, Fan, L, Lin, M.
登録日2018-04-15
公開日2018-05-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Optical control of cell signaling by single-chain photoswitchable kinases.
Science, 355, 2017
6D38
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BU of 6d38 by Molmil
Photodissociable dimeric Dronpa green fluorescent protein variant M (pdDronpaM)
分子名称: Fluorescent protein Dronpa, SULFATE ION
著者Zhou, X, Fan, L, Lin, M.
登録日2018-04-14
公開日2018-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Optical control of cell signaling by single-chain photoswitchable kinases.
Science, 355, 2017
7YDF
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BU of 7ydf by Molmil
Crystal structure of human SARS2 catalytic domain
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7YDG
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BU of 7ydg by Molmil
Crystal structure of human SARS2 catalytic domain with a disease related mutation
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
6K62
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BU of 6k62 by Molmil
Crystal structure of Xanthomonas PcrK
分子名称: Histidine kinase
著者Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P.
登録日2019-05-31
公開日2019-09-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019
5JAU
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BU of 5jau by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAT
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BU of 5jat by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAR
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BU of 5jar by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAL
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BU of 5jal by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAS
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BU of 5jas by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
2OZB
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BU of 2ozb by Molmil
Structure of a human Prp31-15.5K-U4 snRNA complex
分子名称: CALCIUM ION, RNA comprising the 5' Stem-Loop RNA of U4snRNA, U4/U6 small nuclear ribonucleoprotein Prp31, ...
著者Liu, S, Luehrmann, R, Wahl, M.C.
登録日2007-02-26
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding of the human Prp31 Nop domain to a composite RNA-protein platform in U4 snRNP.
Science, 316, 2007
7KPR
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BU of 7kpr by Molmil
Structure of wild-type PPM1H phosphatase at 3.1 Angstrom resolution
分子名称: MAGNESIUM ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2020-11-12
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
7L4J
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BU of 7l4j by Molmil
Crystal structure of WT PPM1H phosphatase
分子名称: MAGNESIUM ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2020-12-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
7L4I
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BU of 7l4i by Molmil
Crystal structure of a substrate-trapping variant of PPM1H phosphatase
分子名称: MAGNESIUM ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2020-12-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
7N0Z
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BU of 7n0z by Molmil
Structure of PPM1H phosphatase with manganese ions at the active site
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2021-05-26
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
4JND
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BU of 4jnd by Molmil
Structure of a C.elegans sex determining protein
分子名称: Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION
著者Feng, Y, Zhang, Y, Ge, J, Yang, M.
登録日2013-03-15
公開日2013-06-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Structural insight into Caenorhabditis elegans sex-determining protein FEM-2.
J.Biol.Chem., 288, 2013
1TW6
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BU of 1tw6 by Molmil
Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J.
登録日2004-06-30
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.713 Å)
主引用文献Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP
Biochem.J., 385, 2005
1KTL
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BU of 1ktl by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ...
著者Holmes, M.A, Strong, R.K.
登録日2002-01-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
1KPR
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BU of 1kpr by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ...
著者Holmes, M.A, Strong, R.K.
登録日2002-01-02
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M, Khan, J.A.
登録日2019-01-25
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019

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