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3IWV
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BU of 3iwv by Molmil
Crystal structure of Y116T mutant of 5-HYDROXYISOURATE HYDROLASE (TRP)
分子名称: 5-hydroxyisourate hydrolase
著者Cendron, L, Ramazzina, I, Berni, R, Percudani, R, Zanotti, G.
登録日2009-09-03
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign.
J.Mol.Biol., 409, 2011
5BUL
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BU of 5bul by Molmil
Structure of flavin-dependent brominase Bmp2 triple mutant Y302S F306V A345W
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, flavin-dependent halogenase triple mutant
著者Agarwal, V, Louie, G.V, Noel, J.P, Moore, B.S.
登録日2015-06-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9784 Å)
主引用文献Biosynthesis of coral settlement cue tetrabromopyrrole in marine bacteria by a uniquely adapted brominase-thioesterase enzyme pair.
Proc.Natl.Acad.Sci.USA, 113, 2016
6M82
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BU of 6m82 by Molmil
Crystal structure of TylM1 Y14paF bound to SAH and dTDP-phenol
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Fick, R.J, McDole, B.G, Trievel, R.C.
登録日2018-08-21
公開日2019-03-13
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.3971 Å)
主引用文献Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
6MA2
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BU of 6ma2 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a
分子名称: Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
6AZP
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BU of 6azp by Molmil
A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Ramyar, K.X, Geisbrecht, B.V.
登録日2017-09-11
公開日2017-12-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
J. Biol. Chem., 293, 2018
6EOZ
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BU of 6eoz by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-10-10
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
6MCP
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L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ...
著者Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M.
登録日2018-09-01
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5LSZ
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BU of 5lsz by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-05
公開日2016-10-05
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
6MA5
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BU of 6ma5 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a
分子名称: Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
6MA4
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BU of 6ma4 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a
分子名称: 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
7VT7
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BU of 7vt7 by Molmil
Crystal structure of CBM deleted MtGlu5 in complex with CBI
分子名称: Endoglucanase H, GLYCEROL, TRYPTOPHAN, ...
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
登録日2009-08-05
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
6MA1
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BU of 6ma1 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a
分子名称: Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
7VT8
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BU of 7vt8 by Molmil
Crystal structure of MtGlu5 from Meiothermus taiwanensis WR-220
分子名称: Endoglucanase H, SULFATE ION, beta-D-glucopyranose
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
5BS7
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BU of 5bs7 by Molmil
Structure of histone H3/H4 in complex with Spt2
分子名称: Histone H3.2, Histone H4, Protein SPT2 homolog, ...
著者Chen, S, Patel, D.J.
登録日2015-06-01
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.
Genes Dev., 29, 2015
6B3S
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BU of 6b3s by Molmil
Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Ferguson, K.M, Bagchi, A.
登録日2017-09-23
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Basis for Necitumumab Inhibition of EGFR Variants Associated with Acquired Cetuximab Resistance.
Mol. Cancer Ther., 17, 2018
5LX9
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BU of 5lx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 2.4 ANGSTROM RESOLUTION
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, HUMAN ADIPONECTIN RECEPTOR 2, OLEIC ACID, ...
著者Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S.
登録日2016-09-20
公開日2017-03-22
最終更新日2017-04-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
7VT5
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BU of 7vt5 by Molmil
Crystal structure of CBM deleted MtGlu5 from Meiothermus taiwanensis WR-220
分子名称: Endoglucanase H, METHIONINE, TRYPTOPHAN
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
7VT6
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BU of 7vt6 by Molmil
Crystal structure of CBM deleted MtGlu5 in complex with BGC.
分子名称: Endoglucanase H, GLYCEROL, TRYPTOPHAN, ...
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
7VT4
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BU of 7vt4 by Molmil
Crystal structure of mutant E393Q of MtGlu5
分子名称: Endoglucanase H, GLYCEROL, SULFATE ION
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
6LYN
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BU of 6lyn by Molmil
CD146 D4-D5/AA98 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AA98 Fab heavy chain, ...
著者Chen, X, Yan, X.
登録日2020-02-14
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.776 Å)
主引用文献Structure basis for AA98 inhibition on the activation of endothelial cells mediated by CD146.
Iscience, 24, 2021
6BE0
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BU of 6be0 by Molmil
AvrA delL154 with IP6, CoA
分子名称: AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE
著者Labriola, J.M, Nagar, B.
登録日2017-10-24
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition.
Biochemistry, 57, 2018
5M57
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BU of 5m57 by Molmil
Nek2 bound to arylaminopurine 6
分子名称: O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2
著者Bayliss, R.
登録日2016-10-20
公開日2016-11-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of purine-based probes for selective Nek2 inhibition.
Oncotarget, 8, 2017
6LWF
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BU of 6lwf by Molmil
Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing guanidinohydantoin (Gh)
分子名称: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
著者Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
登録日2020-02-07
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
6LWC
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Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing spiroiminodihydantoin (Sp)
分子名称: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
著者Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
登録日2020-02-07
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021

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