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2C2K
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Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
1TKA
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SPECIFICITY OF COENZYME BINDING IN THIAMIN DIPHOSPHATE DEPENDENT ENZYMES: CRYSTAL STRUCTURES OF YEAST TRANSKETOLASE IN COMPLEX WITH ANALOGS OF THIAMIN DIPHOSPHATE
Descriptor: 3'-DEAZO-THIAMIN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE
Authors:Schneider, G, Koenig, S.
Deposit date:1994-02-07
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Specificity of coenzyme binding in thiamin diphosphate-dependent enzymes. Crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate.
J.Biol.Chem., 269, 1994
1TKB
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SPECIFICITY OF COENZYME BINDING IN THIAMIN DIPHOSPHATE DEPENDENT ENZYMES: CRYSTAL STRUCTURES OF YEAST TRANSKETOLASE IN COMPLEX WITH ANALOGS OF THIAMIN DIPHOSPHATE
Descriptor: 1'-DEAZO-THIAMIN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE
Authors:Schneider, G, Koenig, S.
Deposit date:1994-02-07
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Specificity of coenzyme binding in thiamin diphosphate-dependent enzymes. Crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate.
J.Biol.Chem., 269, 1994
2BNR
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BU of 2bnr by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-03-31
Release date:2005-05-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
1TBP
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BU of 1tbp by Molmil
CRYSTAL STRUCTURE OF YEAST TATA-BINDING PROTEIN AND MODEL FOR INTERACTION WITH DNA
Descriptor: TATA-BINDING PROTEIN
Authors:Chasman, D.I, Flaherty, K.M, Sharp, P.A, Kornberg, R.D.
Deposit date:1993-08-02
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of yeast TATA-binding protein and model for interaction with DNA.
Proc.Natl.Acad.Sci.USA, 90, 1993
2C3E
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BU of 2c3e by Molmil
The bovine mitochondrial ADP-ATP carrier
Descriptor: ADP/ATP TRANSLOCASE 1, CARDIOLIPIN, Carboxyatractyloside
Authors:Nury, H, Dahout-Gonzalez, C, Trezeguet, V, Lauquin, G, Brandolin, G, Pebay-Peyroula, E.
Deposit date:2005-10-06
Release date:2005-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Lipid-Mediated Interactions between Mitochondrial Adp/ATP Carrier Monomers.
FEBS Lett., 579, 2005
2BPO
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Crystal structure of the yeast CPR triple mutant: D74G, Y75F, K78A.
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Yermalitskaya, L.V, Kim, Y, Waterman, M.R, Podust, L.M.
Deposit date:2005-04-21
Release date:2006-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A.
To be Published
1TCW
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SIV 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, SIV PROTEASE
Authors:Hoog, S.S, Abdel-Meguid, S.S.
Deposit date:1996-06-05
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity.
Biochemistry, 35, 1996
2C3Z
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Crystal structure of a truncated variant of indole-3-glycerol phosphate synthase from Sulfolobus solfataricus
Descriptor: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION
Authors:Schneider, A, Knoechel, T, Darimont, B, Hennig, M, Dietrich, S, Kirschner, K, Sterner, R.
Deposit date:2005-10-13
Release date:2005-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Role of the N-Terminal Extension of the (Betaalpha)(8)-Barrel Enzyme Indole-3-Glycerol Phosphate Synthase for its Fold, Stability, and Catalytic Activity.
Biochemistry, 44, 2005
1STR
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BU of 1str by Molmil
STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE AC-CHPQNT-NH2 DIMER
Descriptor: AC-CHPQNT-NH2, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N.
Deposit date:1995-09-12
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Topochemical catalysis achieved by structure-based ligand design.
J.Biol.Chem., 270, 1995
1X19
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BU of 1x19 by Molmil
Crystal structure of BchU involved in bacteriochlorophyll c biosynthesis
Descriptor: CrtF-related protein, SULFATE ION
Authors:Yamaguchi, H, Wada, K, Fukuyama, K.
Deposit date:2005-04-02
Release date:2006-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structures of BchU, a Methyltransferase Involved in Bacteriochlorophyll c Biosynthesis, and its Complex with S-adenosylhomocysteine: Implications for Reaction Mechanism.
J.Mol.Biol., 360, 2006
2BFK
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Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent
Descriptor: AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ...
Authors:Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M.
Deposit date:2004-12-07
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
2BYY
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BU of 2byy by Molmil
E.coli KAS I H298E Mutation
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION
Authors:Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A.
Deposit date:2005-08-09
Release date:2006-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
1TDE
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BU of 1tde by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI THIOREDOXIN REDUCTASE REFINED AT 2 ANGSTROM RESOLUTION: IMPLICATIONS FOR A LARGE CONFORMATIONAL CHANGE DURING CATALYSIS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE
Authors:Waksman, G, Krishna, T.S.R, Williams Junior, C.H, Kuriyan, J.
Deposit date:1994-01-14
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Escherichia coli thioredoxin reductase refined at 2 A resolution. Implications for a large conformational change during catalysis.
J.Mol.Biol., 236, 1994
1A5W
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BU of 1a5w by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
1UD6
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BU of 1ud6 by Molmil
Crystal structure of AmyK38 with potassium ion
Descriptor: POTASSIUM ION, amylase
Authors:Nonaka, T, Fujihashi, M, Kita, A, Hagihara, H, Ozaki, K, Ito, S, Miki, K.
Deposit date:2003-04-28
Release date:2003-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of calcium-free alpha-amylase from Bacillus sp. strain KSM-K38 (AmyK38) and its sodium ion binding sites
J.Biol.Chem., 278, 2003
2BXF
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BU of 2bxf by Molmil
Human serum albumin complexed with diazepam
Descriptor: 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
2C2R
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Efficient and High Fidelity Incorporation of dCTP Opposite 7,8- Dihydro-8-oxodeoxyguanosine by Sulfolobus solfataricus DNA Polymerase Dpo4
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*C 8OGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2005-09-29
Release date:2005-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Efficient and High Fidelity Incorporation of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine by Sulfolobus Solfataricus DNA Polymerase Dpo4
J.Biol.Chem., 281, 2006
2BIP
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human p53 core domain mutant M133L-H168R-V203A-N239Y-R249S-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
2BFR
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BU of 2bfr by Molmil
The Macro domain is an ADP-ribose binding module
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HYPOTHETICAL PROTEIN AF1521, MAGNESIUM ION
Authors:Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G.
Deposit date:2004-12-10
Release date:2004-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Macro Domain is an Adp-Ribose Binding Module.
Embo J., 24, 2005
1WL7
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BU of 1wl7 by Molmil
Structure of the thermostable arabinanase
Descriptor: CALCIUM ION, arabinanase-TS
Authors:Yamaguchi, A, Tada, T, Nakaniwa, T, Kitatani, T.
Deposit date:2004-06-21
Release date:2005-06-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for thermostability of endo-1,5-alpha-L-arabinanase from Bacillus thermodenitrificans TS-3.
J.Biochem.(Tokyo), 137, 2005
1F30
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BU of 1f30 by Molmil
THE STRUCTURAL BASIS FOR DNA PROTECTION BY E. COLI DPS PROTEIN
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, ZINC ION
Authors:Luo, J, Liu, D, White, M.A, Fox, R.O.
Deposit date:2000-05-31
Release date:2003-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Structural Basis for DNA Protection by E. coli Dps Protein
To be Published
1WMR
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BU of 1wmr by Molmil
Crystal Structure of Isopullulanase from Aspergillus niger ATCC 9642
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isopullulanase
Authors:Mizuno, M, Tonozuka, T, Miyasaka, Y, Akeboshi, H, Kamitori, S, Nishikawa, A, Sakano, Y.
Deposit date:2004-07-15
Release date:2005-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Aspergillus niger Isopullulanase, a Member of Glycoside Hydrolase Family 49
J.Mol.Biol., 376, 2008
1WN6
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Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S
Descriptor: 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
2DDK
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Crystal structure of human myo-inositol monophosphatase 2 (IMPA2) (orthorhombic form)
Descriptor: Inositol monophosphatase 2
Authors:Arai, R, Ito, K, Kamo-Uchikubo, T, Bessho, Y, Ohba, H, Ohnishi, T, Yoshikawa, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-30
Release date:2007-02-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human myo-inositol monophosphatase 2, the product of the putative susceptibility gene for bipolar disorder, schizophrenia, and febrile seizures
Proteins, 67, 2007

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