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4P9M
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BU of 4p9m by Molmil
Crystal structure of 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, 8ANC195 light chain
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
Descriptor: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
8LPR
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BU of 8lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
4PX6
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BU of 4px6 by Molmil
SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor
Descriptor: 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-03-21
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
3IHR
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BU of 3ihr by Molmil
Crystal Structure of Uch37
Descriptor: FORMIC ACID, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase isozyme L5
Authors:Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-07-30
Release date:2009-08-11
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of human Uch37.
Proteins, 80, 2012
4QNB
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BU of 4qnb by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor
Descriptor: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Pornillos, O.
Deposit date:2014-06-17
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R73
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BU of 4r73 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (endogenous glucose-6-phosphate and mannose-6-phosphate bound)
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ABC-type Fe3+ transport system, ...
Authors:Calmettes, C, Tang, C, Sit, B, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4QQ1
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BU of 4qq1 by Molmil
Crystal structure of the isotype 1 Transferrin binding protein B (TbpB) from serogroup B Neisseria meningitidis
Descriptor: CESIUM ION, GLYCEROL, SULFATE ION, ...
Authors:Calmettes, C, Moraes, T.F.
Deposit date:2014-06-26
Release date:2015-04-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Patterns of structural and sequence variation within isotype lineages of the Neisseria meningitidis transferrin receptor system.
Microbiologyopen, 4, 2015
4R72
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BU of 4r72 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (apo form)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC-type Fe3+ transport system, periplasmic component, ...
Authors:Sit, B, Calmettes, C, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4R26
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BU of 4r26 by Molmil
Crystal structure of human Fab PGT124, a broadly neutralizing and potent HIV-1 neutralizing antibody
Descriptor: GLYCEROL, PGR124-Light Chain, PGT124-Heavy Chain
Authors:Garces, F, Kong, L, Wilson, I.A.
Deposit date:2014-08-08
Release date:2014-10-08
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.4969 Å)
Cite:Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies.
Cell(Cambridge,Mass.), 159, 2014
4R2G
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BU of 4r2g by Molmil
Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Garces, F, Wilson, I.A.
Deposit date:2014-08-11
Release date:2014-10-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.283 Å)
Cite:Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies.
Cell(Cambridge,Mass.), 159, 2014
4QYK
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BU of 4qyk by Molmil
Crystal structure of a canine parvovirus variant
Descriptor: Capsid protein VP1, MAGNESIUM ION
Authors:Lukk, T, Organtini, L.J, Hafenstein, S.U.
Deposit date:2014-07-24
Release date:2014-12-10
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Global Displacement of Canine Parvovirus by a Host-Adapted Variant: Structural Comparison between Pandemic Viruses with Distinct Host Ranges.
J.Virol., 89, 2015
4R75
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BU of 4r75 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous sedoheptulose-7-phosphate bound)
Descriptor: 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose, ABC-type Fe3+ transport system, periplasmic component, ...
Authors:Sit, B, Calmettes, C, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4R74
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BU of 4r74 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-phosphate bound)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-beta-D-fructofuranose, ABC-type Fe3+ transport system, ...
Authors:Sit, B, Calmettes, C, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4RQQ
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BU of 4rqq by Molmil
Crystal structure of human Fab PGDM1400, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: Human anti-HIV-1 antibody PGDM1400 heavy chain, Human anti-HIV-1 antibody PGDM1400 light chain
Authors:Julien, J.-P, Wilson, I.A.
Deposit date:2014-11-04
Release date:2014-11-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recombinant HIV envelope trimer selects for quaternary-dependent antibodies targeting the trimer apex.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RX8
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BU of 4rx8 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2
Descriptor: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-12-09
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX7
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BU of 4rx7 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
Descriptor: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ...
Authors:Lee, C.C.
Deposit date:2014-12-09
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX9
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BU of 4rx9 by Molmil
SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor
Descriptor: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-12-09
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
3I28
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BU of 3i28 by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: 4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide, Epoxide hydrolase 2
Authors:Farrow, N.A.
Deposit date:2009-06-29
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
Descriptor: 35O22 Fab Heavy chain, 35O22 Fab Light chain
Authors:Pancera, M, Kwong, P.D.
Deposit date:2014-06-06
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
4RPV
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BU of 4rpv by Molmil
co-crystal structure of Pim1 with compound 3
Descriptor: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
Authors:Huang, X.
Deposit date:2014-10-31
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3I1Y
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BU of 3i1y by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009

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