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2OH0
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BU of 2oh0 by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Descriptor: (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
3MRD
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BU of 3mrd by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6G variant
Descriptor: 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Reiser, J.-B, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
3CKE
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BU of 3cke by Molmil
Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Descriptor: (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
Authors:Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W.
Deposit date:2008-03-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis.
J.Biol.Chem., 283, 2008
1BMC
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BU of 1bmc by Molmil
STRUCTURE OF A ZINC METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
Descriptor: METALLO-BETA-LACTAMASE, ZINC ION
Authors:Carfi, A, Pares, S, Duee, E, Dideberg, O.
Deposit date:1995-06-16
Release date:1996-08-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 3-D structure of a zinc metallo-beta-lactamase from Bacillus cereus reveals a new type of protein fold.
EMBO J., 14, 1995
2DKB
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BU of 2dkb by Molmil
DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES
Descriptor: 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Toney, M.D, Hohenester, E, Jansonius, J.N.
Deposit date:1994-07-12
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites.
Science, 261, 1993
1K3W
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BU of 1k3w by Molmil
Crystal structure of a trapped reaction intermediate of the DNA Repair Enzyme Endonuclease VIII with DNA
Descriptor: 5'-D(*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*GP*G)-3', Endonuclease VIII, ...
Authors:Golan, G, Zharkov, D.O, Gilboa, R, Fernandes, A.S, Kycia, J.H, Gerchman, S.E, Rieger, R.A, Grollman, A.P, Shoham, G.
Deposit date:2001-10-04
Release date:2002-10-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural analysis of an Escherichia coli endonuclease VIII covalent reaction intermediate.
EMBO J., 21, 2002
3MRJ
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BU of 3mrj by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
Descriptor: 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
To be Published
4YSM
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BU of 4ysm by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4L6D
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BU of 4l6d by Molmil
Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with vanillic acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-HYDROXY-3-METHOXYBENZOATE, 5-carboxyvanillate decarboxylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C.
Deposit date:2013-06-12
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with vanillic acid
To be Published
2OH7
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BU of 2oh7 by Molmil
The Crystal Structure of Cypovirus Polyhedra containing the Human ZIP-kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
1K4F
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BU of 1k4f by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 AT 1.6 A RESOLUTION
Descriptor: Beta-lactamase PSE-2, SULFATE ION
Authors:Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P.
Deposit date:2001-10-08
Release date:2001-10-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the class D beta-lactamase OXA-2
To be Published
2DPR
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BU of 2dpr by Molmil
The crystal structures of the calcium-bound con-G and con-T(K7Glu) dimeric peptides demonstrate a novel metal-dependent helix-forming motif
Descriptor: CALCIUM ION, Conantokin-T
Authors:Cnudde, S.E, Prorok, M, Dai, Q, Castellino, F.J, Geiger, J.H.
Deposit date:2006-05-13
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structures of the calcium-bound con-G and con-T[K7gamma] dimeric peptides demonstrate a metal-dependent helix-forming motif
J.Am.Chem.Soc., 129, 2007
1FE8
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BU of 1fe8 by Molmil
CRYSTAL STRUCTURE OF THE VON WILLEBRAND FACTOR A3 DOMAIN IN COMPLEX WITH A FAB FRAGMENT OF IGG RU5 THAT INHIBITS COLLAGEN BINDING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, IMMUNOGLOBULIN IGG RU5, ...
Authors:Bouma, B, Huizinga, E.G, Schiphorst, M.E, Sixma, J.J, Kroon, J, Gros, P.
Deposit date:2000-07-21
Release date:2001-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of the collagen-binding site of the von Willebrand factor A3-domain.
J.Biol.Chem., 276, 2001
3M00
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BU of 3m00 by Molmil
Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate
Descriptor: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
Authors:Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
Deposit date:2010-03-02
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
3CLN
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BU of 3cln by Molmil
STRUCTURE OF CALMODULIN REFINED AT 2.2 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN
Authors:Babu, Y.S, Bugg, C.E, Cook, W.J.
Deposit date:1988-05-11
Release date:1988-07-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of calmodulin refined at 2.2 A resolution.
J.Mol.Biol., 204, 1988
2V73
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BU of 2v73 by Molmil
The structure of the family 40 CBM from C. perfringens NanJ in complex with a sialic acid containing molecule
Descriptor: CALCIUM ION, N-acetyl-alpha-neuraminic acid, PUTATIVE EXO-ALPHA-SIALIDASE
Authors:Boraston, A.B, Ficko-Blean, E, Healey, M.
Deposit date:2007-07-25
Release date:2007-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carbohydrate Recognition by a Large Sialidase Toxin from Clostridium Perfringens.
Biochemistry, 46, 2007
5DVY
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BU of 5dvy by Molmil
2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Penicillin binding protein 2 prime, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-09-21
Release date:2015-10-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium.
To Be Published
3M02
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BU of 3m02 by Molmil
The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate
Descriptor: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
Authors:Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
Deposit date:2010-03-02
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
2V5C
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BU of 2v5c by Molmil
Family 84 glycoside hydrolase from Clostridium perfringens, 2.1 Angstrom structure
Descriptor: CACODYLATE ION, CALCIUM ION, O-GLCNACASE NAGJ, ...
Authors:Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B.
Deposit date:2008-10-02
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
1C1K
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BU of 1c1k by Molmil
BACTERIOPHAGE T4 GENE 59 HELICASE ASSEMBLY PROTEIN
Descriptor: BPT4 GENE 59 HELICASE ASSEMBLY PROTEIN, CHLORIDE ION, IRIDIUM ION
Authors:Mueser, T.C, Jones, C.E, Nossal, N.G, Hyde, C.C.
Deposit date:1999-07-22
Release date:2000-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Bacteriophage T4 gene 59 helicase assembly protein binds replication fork DNA. The 1.45 A resolution crystal structure reveals a novel alpha-helical two-domain fold.
J.Mol.Biol., 296, 2000
2VCL
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BU of 2vcl by Molmil
Structure of Phycoerythrobilin Synthase PebS from the Cyanophage P-SSM2 in the substrate free form
Descriptor: CYANOBACTERIAL PHYCOERYTHROBILIN, GLYCEROL
Authors:Dammeyer, T, Hofmann, E, Frankenberg-Dinkel, N.
Deposit date:2007-09-25
Release date:2008-08-05
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phycoerythrobilin Synthase (Pebs) of a Marine Virus: Crystal Structures of the Biliverdin Complex and the Substrate-Free Form.
J.Biol.Chem., 283, 2008
7L1Y
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BU of 7l1y by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex
Descriptor: 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
5E2N
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BU of 5e2n by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2015-10-01
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
4YC8
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BU of 4yc8 by Molmil
C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ...
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4PEG
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BU of 4peg by Molmil
Dbr1 in complex with guanosine-5'-monophosphate
Descriptor: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014

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數據於2024-10-30公開中

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