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4FQY
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BU of 4fqy by Molmil
Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin
Descriptor: Antibody CR9114 heavy chain, Antibody CR9114 light chain, Hemagglutinin HA1, ...
Authors:Ekiert, D.C, Dreyfus, C, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (5.253 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQI
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BU of 4fqi by Molmil
Crystal Structure of Fab CR9114 in Complex with a H5N1 influenza virus hemagglutinin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dreyfus, C, Wilson, I.A.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4HYX
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BU of 4hyx by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle
Descriptor: Bacteriorhodopsin, DECANE, GLYCEROL, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-14
Release date:2013-03-20
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HWL
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BU of 4hwl by Molmil
Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle
Descriptor: Bacteriorhodopsin, GLYCEROL, HEPTANE, ...
Authors:Lee, S, Stout, C.D, Zhang, Q.
Deposit date:2012-11-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GSD
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BU of 4gsd by Molmil
H5.3 Fab Structure
Descriptor: H5.3 Fab Heavy Chain, H5.3 Fab Light Chain
Authors:Spiller, B.W, Winarski, K.L.
Deposit date:2012-08-27
Release date:2013-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses.
J.Clin.Invest., 123, 2013
4GE4
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BU of 4ge4 by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Authors:Pandit, J.
Deposit date:2012-08-01
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
4I54
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BU of 4i54 by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4JL9
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BU of 4jl9 by Molmil
Crystal structure of mouse TBK1 bound to BX795
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Li, P, Shu, C.
Deposit date:2013-03-12
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0999 Å)
Cite:Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4JY6
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BU of 4jy6 by Molmil
Crystal structure of human Fab PGT123, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: GLYCEROL, PGT123 heavy chain, PGT123 light chain, ...
Authors:Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
Deposit date:2013-03-29
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broadly Neutralizing Antibody PGT121 Allosterically Modulates CD4 Binding via Recognition of the HIV-1 gp120 V3 Base and Multiple Surrounding Glycans.
Plos Pathog., 9, 2013
4IWD
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BU of 4iwd by Molmil
Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog
Descriptor: 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor
Authors:Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T.
Deposit date:2013-01-23
Release date:2013-12-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.
J.Med.Chem., 56, 2013
4JY5
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BU of 4jy5 by Molmil
Crystal structure of human Fab PGT122, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: GLYCEROL, PGT122 heavy chain, PGT122 light chain
Authors:Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
Deposit date:2013-03-29
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans.
Plos Pathog., 9, 2013
4JKK
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BU of 4jkk by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group I222
Descriptor: Beta-glucuronidase, MAGNESIUM ION
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2013-03-09
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4GEB
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BU of 4geb by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, ...
Authors:Pandit, J.
Deposit date:2012-08-01
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.
Bioorg.Med.Chem.Lett., 23, 2013
4JKM
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BU of 4jkm by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase
Descriptor: Beta-glucuronidase, Maltose-binding periplasmic protein
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2013-03-09
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.263 Å)
Cite:Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JLC
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BU of 4jlc by Molmil
Crystal structure of mouse TBK1 bound to SU6668
Descriptor: 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, Serine/threonine-protein kinase TBK1
Authors:Li, P.
Deposit date:2013-03-12
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
4JY4
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BU of 4jy4 by Molmil
Crystal structure of human Fab PGT121, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PGT121 heavy chain, ...
Authors:Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A.
Deposit date:2013-03-29
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans.
Plos Pathog., 9, 2013
4I53
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BU of 4i53 by Molmil
Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5002 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4JM2
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BU of 4jm2 by Molmil
Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab
Descriptor: 17b Heavy chain, 17b Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2013-03-13
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4JM4
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BU of 4jm4 by Molmil
Crystal Structure of PGT 135 Fab
Descriptor: PGT 135 Heavy Chain, PGT 135 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2013-03-13
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4JPJ
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BU of 4jpj by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JKL
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BU of 4jkl by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group P21212
Descriptor: Beta-glucuronidase, MAGNESIUM ION
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2013-03-09
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JPI
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BU of 4jpi by Molmil
Crystal structure of a putative VRC01 germline precursor Fab
Descriptor: GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain
Authors:Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JIO
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BU of 4jio by Molmil
Bro1 V domain and ubiquitin
Descriptor: BRO1, Ubiquitin
Authors:Pashkova, N, Gakhar, L, Piper, R.C.
Deposit date:2013-03-06
Release date:2013-06-19
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The yeast alix homolog bro1 functions as a ubiquitin receptor for protein sorting into multivesicular endosomes.
Dev.Cell, 25, 2013
4JJY
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BU of 4jjy by Molmil
Alix V domain
Descriptor: Programmed cell death 6-interacting protein
Authors:Pashkova, N, Gakhar, L, Yu, L, Piper, R.C.
Deposit date:2013-03-08
Release date:2013-06-19
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (6.503 Å)
Cite:The yeast alix homolog bro1 functions as a ubiquitin receptor for protein sorting into multivesicular endosomes.
Dev.Cell, 25, 2013
4JPK
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BU of 4jpk by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ...
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013

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