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4PPY
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BU of 4ppy by Molmil
Crystal structure of a putative acylhydrolase (BF3764) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
Descriptor: Putative acylhydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-02-27
Release date:2014-04-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative acylhydrolase (BF3764) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
To be published
4P44
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BU of 4p44 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81
Descriptor: 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, ...
Authors:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4PHX
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BU of 4phx by Molmil
Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104
Descriptor: Protein AggB
Authors:Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
Deposit date:2014-05-07
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4POI
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BU of 4poi by Molmil
Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
Descriptor: Putative periplasmic protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-02-25
Release date:2014-03-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
To be published
4O18
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BU of 4o18 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1A
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BU of 4o1a by Molmil
The crystal structure of the mutant NAMPT G217R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O2T
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BU of 4o2t by Molmil
Crystal structure of a DUF4827 family protein (BDI_1692) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-12-17
Release date:2014-02-26
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a hypothetical protein (BDI_1692) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution
To be published
4O3O
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BU of 4o3o by Molmil
Crystal structure of human polymerase eta inserting datp opposite an 8-oxog containing dna template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4NY0
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BU of 4ny0 by Molmil
Crystal structure of FERM domain of human focal adhesion kinase
Descriptor: Focal adhesion kinase 1
Authors:Walkiewicz, K, Arold, S.T.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:FAK dimerization controls its kinase-dependent functions at focal adhesions.
Embo J., 33, 2014
4O07
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BU of 4o07 by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
Descriptor: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
4O1B
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BU of 4o1b by Molmil
The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O12
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BU of 4o12 by Molmil
Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
Descriptor: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Wang, W.
Deposit date:2013-12-14
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
4O3S
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BU of 4o3s by Molmil
Crystal structure of human polymerase eta extending an 8-oxog dna lesion: post insertion of 8-oxog-dc pair
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*CP*AP*TP*GP*(8OG)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
Descriptor: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
Descriptor: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
2X0B
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BU of 2x0b by Molmil
Crystal structure of human angiotensinogen complexed with renin
Descriptor: ANGIOTENSINOGEN, RENIN
Authors:Zhou, A, Wei, Z, Yan, Y, Carrell, R.W, Read, R.J.
Deposit date:2009-12-08
Release date:2010-10-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (4.33 Å)
Cite:A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
4NRD
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BU of 4nrd by Molmil
Crystal structure of a putative GDSL-like lipase (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution
To be published
4NW2
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BU of 4nw2 by Molmil
Tandem chromodomains of human CHD1 in complex with Influenza virus NS1 C-terminal tail trimethylated at K229
Descriptor: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
Authors:Qin, S, Tempel, W, Xu, C, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-05
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
2XBG
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BU of 2xbg by Molmil
Crystal Structure of YCF48 from Thermosynechococcus elongatus
Descriptor: YCF48-LIKE PROTEIN
Authors:Michoux, F, Takasaka, K, Nixon, P, Murray, J.W.
Deposit date:2010-04-09
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4O14
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BU of 4o14 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1C
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BU of 4o1c by Molmil
The crystal structures of a mutant NAMPT H191R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O3P
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BU of 4o3p by Molmil
Crystal structure of human polymerase eta inserting dctp opposite an 8-oxog containing dna template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta
J.Biol.Chem., 289, 2014
2XEG
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BU of 2xeg by Molmil
Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4
Descriptor: 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, ...
Authors:Zhang, A.X, Murelli, R.P, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
Deposit date:2010-05-14
Release date:2010-09-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
2XEJ
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BU of 2xej by Molmil
Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor
Descriptor: 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, ...
Authors:Zhang, A.X, Murelli, R, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
Deposit date:2010-05-14
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010

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