3COH
 
 | | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | | Descriptor: | 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 | | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | | Deposit date: | 2008-03-28 | | Release date: | 2009-02-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
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4RF2
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4QVD
 | | E.coli Hfq in complex with RNA Ads | | Descriptor: | RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq | | Authors: | Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. | | Deposit date: | 2014-07-14 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
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6B9J
 | | Structure of vaccinia virus D8 protein bound to human Fab vv138 | | Descriptor: | Fab vv138 Heavy chain, Fab vv138 Light chain, GLYCEROL, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2017-10-10 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
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4RF3
 | | Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F | | Descriptor: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | | Authors: | Tang, Y, Tibrewal, N, Cascio, D. | | Deposit date: | 2014-09-24 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.694 Å) | | Cite: | Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8VC8
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3NEG
 | | Pyrabactin-bound PYL1 structure in the open and close forms | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION | | Authors: | Yan, N. | | Deposit date: | 2010-06-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
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3KDH
 | | Structure of ligand-free PYL2 | | Descriptor: | Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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6MNH
 | | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | | Authors: | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
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3NEF
 | | High-resolution pyrabactin-bound PYL1 structure | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1 | | Authors: | Yan, N. | | Deposit date: | 2010-06-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
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4RF4
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4L2Z
 | | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAE and PPi | | Descriptor: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | 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) | | Deposit date: | 2013-06-05 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
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6N8A
 | | Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli | | Descriptor: | CHLORIDE ION, transcription regulator AcaB | | Authors: | Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B. | | Deposit date: | 2018-11-28 | | Release date: | 2020-07-15 | | Last modified: | 2021-01-27 | | Method: | X-RAY DIFFRACTION (3.4011 Å) | | Cite: | Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
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6N8B
 | | Crystal structure of transcription regulator AcaB from uropathogenic E. coli | | Descriptor: | CALCIUM ION, transcription regulator AcaB | | Authors: | Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B. | | Deposit date: | 2018-11-29 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
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3SVM
 | | Human MPP8 - human DNMT3AK47me2 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8 | | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | Deposit date: | 2011-07-12 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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7X78
 | | L-fuculose 1-phosphate aldolase | | Descriptor: | L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION | | Authors: | Lou, X, Zhang, Q, Bartlam, M. | | Deposit date: | 2022-03-09 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
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3KDJ
 | | Complex structure of (+)-ABA-bound PYL1 and ABI1 | | Descriptor: | (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, ... | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-23 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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6NV1
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor | | Descriptor: | (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, ... | | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2019-02-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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7DV4
 | | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | | Authors: | Li, H, Gan, X, He, Y. | | Deposit date: | 2021-01-12 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | 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
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3KDI
 | | Structure of (+)-ABA bound PYL2 | | Descriptor: | (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 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.379 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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4L7I
 | | Crystal structure of S-Adenosylmethionine synthase from Sulfolobus solfataricus complexed with SAM and PPi | | Descriptor: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | 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) | | Deposit date: | 2013-06-13 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.189 Å) | | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
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7ODO
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8J8Q
 | | Structure of the four-component Paf1 complex from Saccharomyces eubayanus | | Descriptor: | CDC73-like protein, CTR9-like protein, PAF1-like protein, ... | | Authors: | Wang, Z, Qin, Y, Zhou, Y, Cao, Y. | | Deposit date: | 2023-05-02 | | Release date: | 2023-05-24 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
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8J8P
 | | Structure of the four-component Paf1 complex from Saccharomyces eubayanus | | Descriptor: | CDC73-like protein, CTR9-like protein, PAF1-like protein, ... | | Authors: | Wang, Z, Qin, Y, Zhou, Y, Cao, Y. | | Deposit date: | 2023-05-02 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of the Transcriptional Elongation Factor Paf1 Core Complex from Saccharomyces eubayanus .
Int J Mol Sci, 24, 2023
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7ODQ
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