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4OD1
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BU of 4od1 by Molmil
Crystal structure of human Fab CAP256-VRC26.03, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
1P01
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BU of 1p01 by Molmil
Serine protease mechanism. structure of an inhibitory complex oF ALPHA-LYTIC Protease and a tightly bound peptide boronic acid
Descriptor: ALPHA-LYTIC PROTEASE, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1989-04-24
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serine protease mechanism: structure of an inhibitory complex of alpha-lytic protease and a tightly bound peptide boronic acid.
Biochemistry, 26, 1987
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
Descriptor: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, 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 (2.7 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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
3RUT
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BU of 3rut by Molmil
FXR with SRC1 and GSK359
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
1OEZ
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BU of 1oez by Molmil
Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase
Descriptor: SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION
Authors:Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Elam, J.S, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S.
Deposit date:2003-04-02
Release date:2003-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Amyloid-Like Filaments and Water-Filled Nanotubes Formed by Sod1 Mutant Proteins Linked to Familial Als
Nat.Struct.Biol., 10, 2003
5LPR
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BU of 5lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE 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 (2.13 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
7FCN
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BU of 7fcn by Molmil
Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Prashar, A, Kumar, A, Kinkar, O, Hire, R.S, Makde, R.D.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1
Insect Biochem.Mol.Biol., 162, 2023
7FDP
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BU of 7fdp by Molmil
Crystal structure of PirB insecticidal protein from Photorhabdus akhurstii
Descriptor: Insecticidal protein
Authors:Prashar, A, Kinkar, O, Kumar, A, Hire, R.S, Makde, R.D.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1
Insect Biochem.Mol.Biol., 162, 2023
3RBX
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BU of 3rbx by Molmil
MthK RCK domain D184N mutant, Ca2+-bound
Descriptor: CALCIUM ION, Calcium-gated potassium channel mthK
Authors:Samakai, E, Rothberg, B.S.
Deposit date:2011-03-30
Release date:2011-10-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of multiple Ca2+-binding sites in a K+ channel RCK domain
Proc.Natl.Acad.Sci.USA, 2011
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
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
Descriptor: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, 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 (3.03 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P7M
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BU of 4p7m by Molmil
Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
Descriptor: 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol, Macrophage migration inhibitory factor-like protein
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-03-27
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 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
3RVF
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BU of 3rvf by Molmil
FXR with SRC1 and GSK2034
Descriptor: 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-06
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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:2024-10-16
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
3RUU
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BU of 3ruu by Molmil
FXR with SRC1 and GSK237
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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
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:2024-10-16
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
3TCL
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BU of 3tcl by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody CH04
Descriptor: CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
Authors:Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D.
Deposit date:2011-08-09
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
Descriptor: Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4OD3
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BU of 4od3 by Molmil
Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAP256-VRC26.07 heavy chain, CAP256-VRC26.07 light chain, ...
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4ORG
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BU of 4org by Molmil
Crystal structure of human Fab CAP256-VRC26.04, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.04 heavy chain, CAP256-VRC26.04 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-02-11
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
3SGW
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BU of 3sgw by Molmil
Crystal structure of ribose-5-phosphate isomerase B RpiB from Coccidioides immitis semi-covalently bound to malonic acid
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MALONIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-15
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis.
Bmc Struct.Biol., 11, 2011

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