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300D
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BU of 300d by Molmil
CAPTURING THE STRUCTURE OF A CATALYTIC RNA INTERMEDIATE: RNA HAMMERHEAD RIBOZYME, MN(II)-SOAKED
Descriptor: MANGANESE (II) ION, RNA HAMMERHEAD RIBOZYME
Authors:Scott, W.G, Murray, J.B, Arnold, J.R.P, Stoddard, B.L, Klug, A.
Deposit date:1996-12-14
Release date:1997-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Capturing the structure of a catalytic RNA intermediate: the hammerhead ribozyme.
Science, 274, 1996
301D
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BU of 301d by Molmil
CAPTURING THE STRUCTURE OF A CATALYTIC RNA INTERMEDIATE: RNA HAMMERHEAD RIBOZYME, MG(II)-SOAKED
Descriptor: MAGNESIUM ION, RNA HAMMERHEAD RIBOZYME
Authors:Scott, W.G, Murray, J.B, Arnold, J.R.P, Stoddard, B.L, Klug, A.
Deposit date:1996-12-14
Release date:1997-01-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Capturing the structure of a catalytic RNA intermediate: the hammerhead ribozyme.
Science, 274, 1996
3AEH
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BU of 3aeh by Molmil
Integral membrane domain of autotransporter Hbp
Descriptor: Hemoglobin-binding protease hbp autotransporter
Authors:Tajima, N, Park, S.-Y, Tame, J.R.H.
Deposit date:2010-02-04
Release date:2010-07-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel intein-like autoproteolytic mechanism in autotransporter proteins.
J.Mol.Biol., 402, 2010
5F73
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BU of 5f73 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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
5F77
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BU of 5f77 by Molmil
Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
5F76
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BU of 5f76 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
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
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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
4EVN
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BU of 4evn by Molmil
Crystal Structure of Fab CR6261 (somatic heavy chain with germline-reverted light chain)
Descriptor: Fab Heavy Chain, Fab Lambda Light Chain
Authors:Whittle, J.R.R.
Deposit date:2012-04-26
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structural and genetic basis for development of broadly neutralizing influenza antibodies.
Nature, 489, 2012
4G1I
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BU of 4g1i by Molmil
Structure of the PrgH periplasmic domain
Descriptor: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Protein prgH
Authors:Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2012-07-10
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
3I4R
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BU of 3i4r by Molmil
Nup107(aa658-925)/Nup133(aa517-1156) complex, H.sapiens
Descriptor: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133
Authors:Whittle, J.R.R, Schwartz, T.U.
Deposit date:2009-07-02
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Architectural nucleoporins Nup157/170 and Nup133 are structurally related and descend from a second ancestral element.
J.Biol.Chem., 284, 2009
3I5P
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BU of 3i5p by Molmil
Nup170(aa979-1502), S.cerevisiae
Descriptor: Nucleoporin NUP170
Authors:Whittle, J.R.R, Schwartz, T.U.
Deposit date:2009-07-06
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Architectural nucleoporins Nup157/170 and Nup133 are structurally related and descend from a second ancestral element.
J.Biol.Chem., 284, 2009
5CUK
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BU of 5cuk by Molmil
Crystal structure of the PscP SS domain
Descriptor: GLYCEROL, Ruler protein
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2015-07-24
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing.
J.Biol.Chem., 291, 2016
3I5Q
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BU of 3i5q by Molmil
Nup170(aa1253-1502) at 2.2 A, S.cerevisiae
Descriptor: Nucleoporin NUP170
Authors:Whittle, J.R.R, Schwartz, T.U.
Deposit date:2009-07-06
Release date:2009-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Architectural nucleoporins Nup157/170 and Nup133 are structurally related and descend from a second ancestral element.
J.Biol.Chem., 284, 2009
5CUL
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BU of 5cul by Molmil
crystal structure of the PscU C-terminal domain
Descriptor: Translocation protein in type III secretion
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2015-07-24
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of a Type 3 Secretion System (T3SS) Ruler Protein Suggests a Molecular Mechanism for Needle Length Sensing.
J.Biol.Chem., 291, 2016
5F78
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BU of 5f78 by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8518 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
4G08
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BU of 4g08 by Molmil
Crystal structure of the periplasmic domain of InvG
Descriptor: Protein InvG
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2012-07-09
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013

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