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1TM0
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BU of 1tm0 by Molmil
Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31
Descriptor: PROLINE RACEMASE
Authors:Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-10
Release date:2004-06-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1RTY
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BU of 1rty by Molmil
Crystal Structure of Bacillus subtilis YvqK, a putative ATP-binding Cobalamin Adenosyltransferase, The North East Structural Genomics Target SR128
Descriptor: PHOSPHATE ION, yvqk protein
Authors:Forouhar, F, Lee, I, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-12-10
Release date:2003-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1SQS
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BU of 1sqs by Molmil
X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27.
Descriptor: L(+)-TARTARIC ACID, conserved hypothetical protein
Authors:Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-03-19
Release date:2004-03-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM, 8, 2007
4QDJ
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BU of 4qdj by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAM
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
4QDK
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BU of 4qdk by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
6Q13
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BU of 6q13 by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2019-08-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:To be determined
To Be Published
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:To be determined
To Be Published
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
4YVO
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BU of 4yvo by Molmil
Crystal Structure of the TPR Domain of Arabidopsis FLU (FLU-TPR)
Descriptor: Protein FLUORESCENT IN BLUE LIGHT, chloroplastic
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
4YVQ
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BU of 4yvq by Molmil
Crystal Structure of FLU-TPR in Complex with the C-terminal Region of GluTR
Descriptor: Glutamyl-tRNA reductase 1, chloroplastic, Protein FLUORESCENT IN BLUE LIGHT
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
2HD3
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BU of 2hd3 by Molmil
Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316
Descriptor: Ethanolamine utilization protein eutN
Authors:Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-19
Release date:2006-08-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1ZBP
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BU of 1zbp by Molmil
X-Ray Crystal Structure of Protein VPA1032 from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR44
Descriptor: hypothetical protein VPA1032
Authors:Forouhar, F, Yong, W, Vorobiev, S.M, Ciao, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-04-08
Release date:2005-04-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
7RCL
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BU of 7rcl by Molmil
Crystal Structure of ADP-bound Galactokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Galactokinase, MAGNESIUM ION, ...
Authors:Whitby, F.G, Hall, M.D.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7RCM
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BU of 7rcm by Molmil
Crystal Structure of ADP-bound Galactokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ...
Authors:Whitby, F.G.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7S4C
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BU of 7s4c by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
Descriptor: 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ...
Authors:Whitby, F.G.
Deposit date:2021-09-08
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7S49
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BU of 7s49 by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
Descriptor: (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ...
Authors:Whitby, F.G.
Deposit date:2021-09-08
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
5FEJ
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BU of 5fej by Molmil
CopM in the Cu(I)-bound form
Descriptor: COPPER (I) ION, CopM
Authors:Zhao, S, Wang, X, Liu, L.
Deposit date:2015-12-17
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
5FFA
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BU of 5ffa by Molmil
CopM (with an N-terminal His-tag) in the apo form
Descriptor: CopM
Authors:Zhao, S, Wang, X, Liu, L.
Deposit date:2015-12-18
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
5FFC
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BU of 5ffc by Molmil
CopM in the Cu(II)-bound form
Descriptor: COPPER (II) ION, CopM, SULFATE ION
Authors:Zhao, S, Wang, X, Liu, L.
Deposit date:2015-12-18
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016

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