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2PGA
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BU of 2pga by Molmil
X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution
Descriptor: 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Timofeev, V.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2007-04-09
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution
To be Published
2X46
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BU of 2x46 by Molmil
Crystal Structure of SeMet Arg r 1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALLERGEN ARG R 1
Authors:Paesen, G.C, Siebold, C, Syme, N, Harlos, K, Graham, S.C, Hilger, C, Homans, S.W, Hentges, F, Stuart, D.I.
Deposit date:2010-01-28
Release date:2011-02-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal Structure of the Allergen Arg R 1, a Histamine-Binding Lipocalin from a Soft Tick
To be Published
1BDR
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BU of 1bdr by Molmil
HIV-1 (2: 31, 33-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Swairjo, M.A, Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
4PY1
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BU of 4py1 by Molmil
Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
Descriptor: 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2
Authors:Han, S, Knafels, J.D.
Deposit date:2014-03-25
Release date:2014-09-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold.
Bioorg.Med.Chem.Lett., 24, 2014
1TS3
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BU of 1ts3 by Molmil
H135A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1
Authors:Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1997-10-10
Release date:1998-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998
2ANS
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BU of 2ans by Molmil
ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH 1-ANILINO-8-NAPHTHALENE SULFONATE
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, ADIPOCYTE LIPID-BINDING PROTEIN, CHLORIDE ION
Authors:Ory, J.J, Banaszak, L.J.
Deposit date:1999-01-19
Release date:1999-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the ligand binding reaction of adipocyte lipid binding protein using the fluorescent probe 1, 8-anilinonaphthalene-8-sulfonate.
Biophys.J., 77, 1999
1BDQ
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BU of 1bdq by Molmil
HIV-1 (2:31-37, 47, 82) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Swairjo, M.A, Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
1BDL
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BU of 1bdl by Molmil
HIV-1 (2:31-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Swairjo, M.A, Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
3U1S
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BU of 3u1s by Molmil
Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: Fab PGT145 Heavy chain, Fab PGT145 Light chain, GLYCEROL, ...
Authors:Julien, J.-P, Diwanji, D, Burton, D.R, Wilson, I.A.
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
2XF6
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BU of 2xf6 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
1POG
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BU of 1pog by Molmil
SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS
Descriptor: OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN
Authors:Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R.
Deposit date:1994-10-12
Release date:1995-07-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics.
J.Biomol.NMR, 6, 1995
1POU
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BU of 1pou by Molmil
THE SOLUTION STRUCTURE OF THE OCT-1 POU-SPECIFIC DOMAIN REVEALS A STRIKING SIMILARITY TO THE BACTERIOPHAGE LAMBDA REPRESSOR DNA-BINDING DOMAIN
Descriptor: OCT-1
Authors:Assa-Munt, N, Mortishire-Smith, R.J, Aurora, R, Herr, W, Wright, P.E.
Deposit date:1993-06-14
Release date:1994-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the Oct-1 POU-specific domain reveals a striking similarity to the bacteriophage lambda repressor DNA-binding domain.
Cell(Cambridge,Mass.), 73, 1993
3U6I
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BU of 3u6i by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
Descriptor: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F, Whittington, D.A, Long, A.L.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
4MNG
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BU of 4mng by Molmil
Structure of the DP10.7 TCR with CD1d-sulfatide
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Luoma, A.M, Adams, E.J.
Deposit date:2013-09-10
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.0058 Å)
Cite:Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
4CHA
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BU of 4cha by Molmil
STRUCTURE OF ALPHA-*CHYMOTRYPSIN REFINED AT 1.68 ANGSTROMS RESOLUTION
Descriptor: ALPHA-CHYMOTRYPSIN A
Authors:Tsukada, H, Blow, D.M.
Deposit date:1984-11-26
Release date:1985-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of alpha-chymotrypsin refined at 1.68 A resolution.
J.Mol.Biol., 184, 1985
2QA7
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BU of 2qa7 by Molmil
Crystal structure of Huntingtin-interacting protein 1 (HIP1) coiled-coil domain with a basic surface suitable for HIP-protein interactor (HIPPI)
Descriptor: Huntingtin-interacting protein 1
Authors:Niu, Q, Ybe, J.A.
Deposit date:2007-06-14
Release date:2008-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure at 2.8 A of Huntingtin-interacting protein 1 (HIP1) coiled-coil domain reveals a charged surface suitable for HIP1 protein interactor (HIPPI)
J.Mol.Biol., 375, 2007
4CNB
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BU of 4cnb by Molmil
Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus - Crystal form 2
Descriptor: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
Authors:Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
Deposit date:2014-01-21
Release date:2014-03-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
4MUK
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BU of 4muk by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
1RBN
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BU of 1rbn by Molmil
THE STRUCTURE OF RIBONUCLEASE A DERIVATIVE II AT 2.1 ANGSTROMS RESOLUTION
Descriptor: PURINE RIBOSIDE-5'-MONOPHOSPHATE, RIBONUCLEASE A
Authors:Boque, L, Fita, I.
Deposit date:1994-03-29
Release date:1994-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of ribonuclease A derivative II at 2.1-A resolution.
J.Biol.Chem., 269, 1994
1ROB
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BU of 1rob by Molmil
STRUCTURE OF THE CRYSTALLINE COMPLEX OF CYTIDYLIC ACID (2'-CMP) WITH RIBONUCLEASE AT 1.6 ANGSTROMS RESOLUTION
Descriptor: CYTIDINE-2'-MONOPHOSPHATE, RIBONUCLEASE A
Authors:Lisgarten, J.N, Palmer, R.A.
Deposit date:1993-08-23
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the crystalline complex of cytidylic acid (2'-CMP) with ribonuclease at 1.6 A resolution. Conservation of solvent sites in RNase-A high-resolution structures.
Acta Crystallogr.,Sect.D, 49, 1993
2XF7
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BU of 2xf7 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone. High-resolution structure.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
1BTV
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BU of 1btv by Molmil
STRUCTURE OF BET V 1, NMR, 20 STRUCTURES
Descriptor: BET V 1
Authors:Osmark, P, Poulsen, F.M, Gajhede, M, Larsen, J.N, Spangfort, M.D.
Deposit date:1997-01-30
Release date:1997-08-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:X-ray and NMR structure of Bet v 1, the origin of birch pollen allergy.
Nat.Struct.Biol., 3, 1996
4OGG
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BU of 4ogg by Molmil
Crystal Structure of Arabidopsis thaliana DJ-1d with glyoxylate as substrate analog
Descriptor: Protein DJ-1 homolog D
Authors:Choi, D, Kim, J, Ryu, K.-S, Park, C.
Deposit date:2014-01-16
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures.
Febs J., 281, 2014
1BJV
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BU of 1bjv by Molmil
BETA-TRYPSIN COMPLEXED WITH APPU
Descriptor: 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L.
Deposit date:1998-06-29
Release date:1998-12-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998

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