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3COH
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BU of 3coh by Molmil
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
分子名称: 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6
著者Wiesmann, C, Raswson, T.E, Cochran, A.G.
登録日2008-03-28
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QVD
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BU of 4qvd by Molmil
E.coli Hfq in complex with RNA Ads
分子名称: RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq
著者Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y.
登録日2014-07-14
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
6B9J
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BU of 6b9j by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv138
分子名称: Fab vv138 Heavy chain, Fab vv138 Light chain, GLYCEROL, ...
著者Zajonc, D.M.
登録日2017-10-10
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
4RF3
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BU of 4rf3 by Molmil
Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
分子名称: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-12-13
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 384, 2024
3NEG
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BU of 3neg by Molmil
Pyrabactin-bound PYL1 structure in the open and close forms
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION
著者Yan, N.
登録日2010-06-08
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
3KDH
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BU of 3kdh by Molmil
Structure of ligand-free PYL2
分子名称: Putative uncharacterized protein At2g26040
著者Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
登録日2009-10-22
公開日2009-11-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
6MNH
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BU of 6mnh by Molmil
ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ...
著者Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D.
登録日2018-10-01
公開日2019-03-27
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
3NEF
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BU of 3nef by Molmil
High-resolution pyrabactin-bound PYL1 structure
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1
著者Yan, N.
登録日2010-06-08
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
分子名称: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4L2Z
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BU of 4l2z by Molmil
Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAE and PPi
分子名称: DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-06-05
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
6N8A
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BU of 6n8a by Molmil
Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli
分子名称: CHLORIDE ION, transcription regulator AcaB
著者Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
登録日2018-11-28
公開日2020-07-15
最終更新日2021-01-27
実験手法X-RAY DIFFRACTION (3.4011 Å)
主引用文献Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
6N8B
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BU of 6n8b by Molmil
Crystal structure of transcription regulator AcaB from uropathogenic E. coli
分子名称: CALCIUM ION, transcription regulator AcaB
著者Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
登録日2018-11-29
公開日2020-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
3SVM
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BU of 3svm by Molmil
Human MPP8 - human DNMT3AK47me2 peptide
分子名称: DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8
著者Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
登録日2011-07-12
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
7X78
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BU of 7x78 by Molmil
L-fuculose 1-phosphate aldolase
分子名称: L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION
著者Lou, X, Zhang, Q, Bartlam, M.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
3KDJ
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BU of 3kdj by Molmil
Complex structure of (+)-ABA-bound PYL1 and ABI1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ...
著者Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
登録日2009-10-23
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-02-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
分子名称: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
著者Li, H, Gan, X, He, Y.
登録日2021-01-12
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
3KDI
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BU of 3kdi by Molmil
Structure of (+)-ABA bound PYL2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040
著者Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
登録日2009-10-22
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.379 Å)
主引用文献Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
4L7I
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BU of 4l7i by Molmil
Crystal structure of S-Adenosylmethionine synthase from Sulfolobus solfataricus complexed with SAM and PPi
分子名称: DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-06-13
公開日2013-07-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
7ODO
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BU of 7odo by Molmil
Neisseria gonorrhoeae transaldolase at 0.27 MGy dose
分子名称: CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2021-04-30
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
8J8Q
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BU of 8j8q by Molmil
Structure of the four-component Paf1 complex from Saccharomyces eubayanus
分子名称: CDC73-like protein, CTR9-like protein, PAF1-like protein, ...
著者Wang, Z, Qin, Y, Zhou, Y, Cao, Y.
登録日2023-05-02
公開日2023-05-24
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
8J8P
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BU of 8j8p by Molmil
Structure of the four-component Paf1 complex from Saccharomyces eubayanus
分子名称: CDC73-like protein, CTR9-like protein, PAF1-like protein, ...
著者Wang, Z, Qin, Y, Zhou, Y, Cao, Y.
登録日2023-05-02
公開日2023-05-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
7ODQ
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BU of 7odq by Molmil
Neisseria gonorrhoeae transaldolase at 5.4 MGy dose
分子名称: CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2021-04-30
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022

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