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5UKR
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BU of 5ukr by Molmil
Structure of unliganded anti-gp120 CD4bs antibody DH522.2 Fab in complex with a gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimeric B.YU2 gp120 core derived from HIV-1 Env, DH522.2 Fab fragment heavy chain, ...
Authors:Nicely, N.I.
Deposit date:2017-01-23
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
5UKO
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BU of 5uko by Molmil
Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab
Descriptor: DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain
Authors:Nicely, N.I.
Deposit date:2017-01-23
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
4O04
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BU of 4o04 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: 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Ernst, J.
Deposit date:2013-12-13
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 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
4O0B
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BU of 4o0b 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: 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-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 (1.93 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
6SZC
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BU of 6szc by Molmil
NMR structure of repeat domain 13 of the fibrillar adhesin CshA from Streptococcus gordonii.
Descriptor: Surface-associated protein CshA
Authors:Higman, V.A, Back, C, Crump, M.P, Race, P.
Deposit date:2019-10-02
Release date:2020-04-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The streptococcal multidomain fibrillar adhesin CshA has an elongated polymeric architecture.
J.Biol.Chem., 295, 2020
4O05
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BU of 4o05 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-[1-oxo-8-(propan-2-ylamino)-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 (1.79 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
7U0F
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BU of 7u0f by Molmil
HIV-1 Rev in complex with tubulin
Descriptor: Protein Rev, Tubulin alpha-1A chain, Tubulin beta chain
Authors:Eren, E.
Deposit date:2022-02-18
Release date:2023-08-23
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of microtubule depolymerization by the kinesin-like activity of HIV-1 Rev.
Structure, 31, 2023
7LPR
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BU of 7lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE 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 (2.05 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
1BMB
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BU of 1bmb by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF270-974)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-23
Release date:1998-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
6UFY
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BU of 6ufy by Molmil
B. theta Bile Salt Hydrolase
Descriptor: Choloylglycine hydrolase
Authors:Seegar, T.C.M.
Deposit date:2019-09-25
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Development of a covalent inhibitor of gut bacterial bile salt hydrolases.
Nat.Chem.Biol., 16, 2020
1BM2
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BU of 1bm2 by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF273-791)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
5SWK
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BU of 5swk by Molmil
Crystal structure of p53 epitope-scaffold based on a inhibitor of cysteine proteases in complex with human MDM2
Descriptor: CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Jimenez-Sandoval, P, Brieba, L.G.
Deposit date:2016-08-08
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold.
Proteins, 86, 2018
6SSI
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BU of 6ssi by Molmil
Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J.
Deposit date:2019-09-07
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
6UH4
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BU of 6uh4 by Molmil
B. theta Bile Salt Hydrolase with covalent inhibitor
Descriptor: (5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one, Choloylglycine hydrolase
Authors:Seegar, T.C.M.
Deposit date:2019-09-26
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Development of a covalent inhibitor of gut bacterial bile salt hydrolases.
Nat.Chem.Biol., 16, 2020
4O3Z
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BU of 4o3z by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-95-Ala from Actinobacillus pleuropneumoniae H87
Descriptor: ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4O3Y
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BU of 4o3y by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Arg-179-Glu from Actinobacillus pleuropneumoniae H87
Descriptor: ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4O4X
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BU of 4o4x by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) double mutant Tyr-167-Ala and Trp-176-Ala from Haemophilus parasuis Hp5
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-19
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4O3X
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BU of 4o3x by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Phe-171-Ala from Actinobacillus pleuropneumoniae H49
Descriptor: Transferrin binding protein B
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4O09
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BU of 4o09 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: 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-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 (1.96 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
1GBK
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BU of 1gbk by Molmil
ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA COMPLEX WITH METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Mace, J.E, Agard, D.A.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995
1GBB
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BU of 1gbb by Molmil
Alpha-lytic protease with met 190 replaced by ALA AND GLY 216 replaced by ALA complex with METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Mace, J.E, Agard, D.A.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995
5DCQ
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BU of 5dcq by Molmil
Crystal structure of bacterial adhesin, FNE from Streptococcus equi spp. equi.
Descriptor: FORMIC ACID, Fibronectin-binding protein, artificial repeat proteins (alphaREP3)
Authors:Tiouajni, M, Graille, M, van Tilbeurgh, H.
Deposit date:2015-08-24
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural and functional analysis of the fibronectin-binding protein FNE from Streptococcus equi spp. equi.
FEBS J., 281, 2014
4O3W
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BU of 4o3w by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-63-Ala from Actinobacillus suis H57
Descriptor: GLYCEROL, SULFATE ION, Transferrin binding protein B
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
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
4O4U
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BU of 4o4u by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Trp-176-Ala from Haemophilus parasuis Hp5
Descriptor: GLYCEROL, TbpB
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-19
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015

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