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3CT9
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BU of 3ct9 by Molmil
Crystal structure of a putative zinc peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution
Descriptor: 1,2-ETHANEDIOL, Acetylornithine deacetylase, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-11
Release date:2008-05-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of a Putative Zinc Peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution
To be published
6CH7
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BU of 6ch7 by Molmil
XFEL crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in complex with the broadly-neutralizing antibodies BG18 and 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2018-02-22
Release date:2018-05-02
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope.
Nat Commun, 9, 2018
1GP2
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BU of 1gp2 by Molmil
G PROTEIN HETEROTRIMER GI_ALPHA_1 BETA_1 GAMMA_2 WITH GDP BOUND
Descriptor: G PROTEIN GI ALPHA 1, G PROTEIN GI BETA 1, G PROTEIN GI GAMMA 2, ...
Authors:Wall, M.A, Sprang, S.R.
Deposit date:1996-11-13
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2.
Cell(Cambridge,Mass.), 83, 1995
3NDU
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BU of 3ndu by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ...
Authors:Geremia, S, Olajuyigbe, F.M, Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
4A80
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BU of 4a80 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with 8-Anilinonaphthalene-1-sulfonate (ANS)
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
3PZG
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BU of 3pzg by Molmil
I222 crystal form of the hyperthermostable endo-1,4-beta-D-mannanase from Thermotoga petrophila RKU-1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Mannan endo-1,4-beta-mannosidase. Glycosyl Hydrolase family 5, ...
Authors:Santos, C.R, Meza, A.N, Paiva, J.H, Silva, J.C, Ruller, R, Prade, R.A, Squina, F.M, Murakami, M.T.
Deposit date:2010-12-14
Release date:2011-12-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural characterization of a novel hyperthermostable endo-1,4-beta-D-mannanase from Thermotoga petrophila RKU-1
To be Published
4HPG
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BU of 4hpg by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), an allergen from Hevea brasiliensis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, DI(HYDROXYETHYL)ETHER, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-10-23
Release date:2013-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5364 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
3Q7G
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BU of 3q7g by Molmil
Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1 in complex with SOS (sucrose octasulfate)
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Amyloid-like protein 1
Authors:Xue, Y, Ha, Y.
Deposit date:2011-01-04
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011
3D4E
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BU of 3d4e by Molmil
Crystal structure of putative beta-lactamase inhibitor protein (NP_721579.1) from STREPTOCOCCUS MUTANS at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, putative beta-lactamase inhibitor protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-05-14
Release date:2008-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of putative beta-lactamase inhibitor protein (NP_721579.1) from STREPTOCOCCUS MUTANS at 1.40 A resolution
To be published
1IZH
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BU of 1izh by Molmil
Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
Descriptor: proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
Deposit date:2002-10-02
Release date:2002-12-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
1IIQ
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BU of 1iiq by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR
Descriptor: GLYCEROL, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M.
Deposit date:2001-04-24
Release date:2002-04-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.
J.Med.Chem., 45, 2002
9PYR
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BU of 9pyr by Molmil
Importin alpha 2 in complex with Haliotid herpesvirus 1 large tegument protein NLS region
Descriptor: GLU-THR-LYS-LYS-ARG-ARG-ARG-ILE, Importin subunit alpha-1
Authors:Nath, B.K, Swarbrick, C.M.D, Forwood, J.K, Sarker, S.
Deposit date:2025-08-08
Release date:2025-10-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Nuclear Import of Haliotid Herpesvirus 1 Large Tegument Protein Homologue.
Viruses, 17, 2025
2NZV
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BU of 2nzv by Molmil
Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors G6P and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Catabolite control protein, Phosphocarrier protein HPr, ...
Authors:Schumacher, M.A, Hillen, W, Brennan, R.G.
Deposit date:2006-11-25
Release date:2007-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate.
J.Mol.Biol., 368, 2007
3QZ4
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BU of 3qz4 by Molmil
Crystal structure of an Endo-1,4-beta-xylanase D (BT_3675) from Bacteroides thetaiotaomicron VPI-5482 at 1.74 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endo-1,4-beta-xylanase D, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-03-04
Release date:2011-04-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of an Endo-1,4-beta-xylanase D (BT_3675) from Bacteroides thetaiotaomicron VPI-5482 at 1.74 A resolution
To be published
4HT3
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BU of 4ht3 by Molmil
The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2012-10-31
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
1AG9
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BU of 1ag9 by Molmil
FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 ANGSTROMS RESOLUTION.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hoover, D.M, Ludwig, M.L.
Deposit date:1997-04-04
Release date:1997-12-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A flavodoxin that is required for enzyme activation: the structure of oxidized flavodoxin from Escherichia coli at 1.8 A resolution.
Protein Sci., 6, 1997
3E10
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BU of 3e10 by Molmil
Crystal structure of Putative NADH Oxidase (NP_348178.1) from CLOSTRIDIUM ACETOBUTYLICUM at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-08-01
Release date:2008-08-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Putative NADH Oxidase (NP_348178.1) from CLOSTRIDIUM ACETOBUTYLICUM at 1.40 A resolution
To be published
1G9M
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BU of 1g9m by Molmil
HIV-1 HXBC2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
Authors:Kwong, P.D, Wyatt, R, Majeed, S, Robinson, J, Sweet, R.W, Sodroski, J, Hendrickson, W.A.
Deposit date:2000-11-24
Release date:2000-12-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of HIV-1 gp120 envelope glycoproteins from laboratory-adapted and primary isolates.
Structure Fold.Des., 8, 2000
2QVU
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BU of 2qvu by Molmil
Porcine Liver Fructose-1,6-bisphosphatase cocrystallized with Fru-2,6-P2 and Mg2+, I(T)-state
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION, ...
Authors:Hines, J.K, Chen, X, Nix, J.C, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-08-08
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of mammalian and bacterial fructose-1,6-bisphosphatase reveal the basis for synergism in AMP/fructose 2,6-bisphosphate inhibition
J.Biol.Chem., 282, 2007
2QYC
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BU of 2qyc by Molmil
Crystal structure of a dimeric ferredoxin-like protein (bb1511) from bordetella bronchiseptica rb50 at 1.90 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-14
Release date:2007-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of dimeric ferredoxin-like protein (NP_888056.1) from Bordetella bronchiseptica at 1.90 A resolution
To be published
1B55
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BU of 1b55 by Molmil
PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, TYROSINE-PROTEIN KINASE BTK, ZINC ION
Authors:Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A.M, Potter, B.V.L, O'Brien, R, Ladbury, J.E, Saraste, M.
Deposit date:1999-01-12
Release date:1999-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate.
Structure Fold.Des., 7, 1999
1HTE
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BU of 1hte by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, HIV-1 PROTEASE
Authors:Jhoti, H, Wonacott, A, Murray-Rust, P.
Deposit date:1994-04-29
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
4D4B
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BU of 4d4b by Molmil
The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe
Descriptor: 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside
Authors:Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J.
Deposit date:2014-10-27
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
1O7O
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BU of 1o7o by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
Descriptor: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
Deposit date:2002-11-11
Release date:2003-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
1GG2
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BU of 1gg2 by Molmil
G PROTEIN HETEROTRIMER MUTANT GI_ALPHA_1(G203A) BETA_1 GAMMA_2 WITH GDP BOUND
Descriptor: G PROTEIN GI ALPHA 1, G PROTEIN GI BETA 1, G PROTEIN GI GAMMA 2, ...
Authors:Wall, M.A, Sprang, S.R.
Deposit date:1996-11-13
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2.
Cell(Cambridge,Mass.), 83, 1995

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