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3QAH
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BU of 3qah by Molmil
Crystal structure of apo-form human MOF catalytic domain
Descriptor: Probable histone acetyltransferase MYST1, ZINC ION
Authors:Sun, B, Tang, Q, Zhong, C, Ding, J.
Deposit date:2011-01-11
Release date:2011-07-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274
Cell Res., 21, 2011
6IE2
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BU of 6ie2 by Molmil
Crystal structure of methyladenine demethylase
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
5YBB
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BU of 5ybb by Molmil
Structural basis underlying complex assembly andconformational transition of the type I R-M system
Descriptor: DNA, Restriction endonuclease S subunits, S-ADENOSYLMETHIONINE, ...
Authors:Liu, Y.P, Tang, Q, Zhang, J.Z, Tian, L.F, Gao, P, Yan, X.X.
Deposit date:2017-09-04
Release date:2017-11-29
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis underlying complex assembly and conformational transition of the type I R-M system.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6IE3
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BU of 6ie3 by Molmil
Crystal structure of methyladenine demethylase
Descriptor: ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
6JDE
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BU of 6jde by Molmil
crystal structure of a DNA repair protein
Descriptor: Putative DNA repair helicase RadD, ZINC ION
Authors:Yan, X.X, Tang, Q.
Deposit date:2019-02-01
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a novel ATPase RadD from Escherichia coli.
Proteins, 87, 2019
5CH8
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BU of 5ch8 by Molmil
Crystal structure of MDLA N225Q mutant form Penicillium cyclopium
Descriptor: CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-07-10
Release date:2016-04-20
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process
ChemistrySelect, 4, 2016
4HWV
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BU of 4hwv by Molmil
Structure of Pectate Lyase from Acidovorax avenae subsp citrulli
Descriptor: CALCIUM ION, Pectate lyase/Amb allergen
Authors:Qun, T, Liqun, Z.
Deposit date:2012-11-09
Release date:2013-10-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:1.37 angstrom crystal structure of pathogenic factor pectate lyase from Acidovorax citrulli.
Proteins, 81, 2013
2TIO
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BU of 2tio by Molmil
LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
Descriptor: BENZAMIDINE, CALCIUM ION, HEXANE, ...
Authors:Huang, Q, Zhu, G, Tang, Q.
Deposit date:1998-09-23
Release date:1998-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
1TIO
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BU of 1tio by Molmil
HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
Descriptor: BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ...
Authors:Huang, Q, Zhu, G, Wang, Z, Tang, Q.
Deposit date:1998-09-17
Release date:1998-09-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
4G9G
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BU of 4g9g by Molmil
Crystal structures of N-acyl homoserine lactonase AidH E219G mutant
Descriptor: Alpha/beta hydrolase fold protein, NICKEL (II) ION
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G5X
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BU of 4g5x by Molmil
Crystal structures of N-acyl homoserine lactonase AidH
Descriptor: Alpha/beta hydrolase fold protein
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-18
Release date:2013-01-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G8C
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BU of 4g8c by Molmil
Crystal structures of N-acyl homoserine lactonase AidH E219G mutant complexed with N-hexanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-hexanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G8D
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BU of 4g8d by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant
Descriptor: Alpha/beta hydrolase fold protein
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4IMA
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BU of 4ima by Molmil
The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P.
Deposit date:2013-01-02
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
8F5U
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BU of 8f5u by Molmil
Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F5T
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BU of 8f5t by Molmil
Rabbit muscle pyruvate kinase in complex with sodium and magnesium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F6M
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BU of 8f6m by Molmil
Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.
Descriptor: (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-16
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
6M2L
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BU of 6m2l by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361
Descriptor: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1
Authors:Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
Deposit date:2020-02-27
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
Descriptor: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
Authors:Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
Deposit date:2020-02-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Ter Haar, E.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
1Z09
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BU of 1z09 by Molmil
Solution structure of km23
Descriptor: Dynein light chain 2A, cytoplasmic
Authors:Ilangovan, U, Ding, W, Mulder, K, Hinck, A.P, Zuniga, J, Trbovich, J.A, Demeler, B, Groppe, J.C.
Deposit date:2005-03-01
Release date:2005-08-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Homodimeric Dynein Light Chain km23.
J.Mol.Biol., 352 (2), 2005
4IP7
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BU of 4ip7 by Molmil
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2013-01-09
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013

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