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2DND
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BU of 2dnd by Molmil
A BIFURCATED HYDROGEN-BONDED CONFORMATION IN THE D(A.T) BASE PAIRS OF THE DNA DODECAMER D(CGCAAATTTGCG) AND ITS COMPLEX WITH DISTAMYCIN
Descriptor: DISTAMYCIN A, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Coll, M, Frederick, C.A, Wang, A.H.-J, Rich, A.
Deposit date:1988-08-29
Release date:1989-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A bifurcated hydrogen-bonded conformation in the d(A.T) base pairs of the DNA dodecamer d(CGCAAATTTGCG) and its complex with distamycin.
Proc.Natl.Acad.Sci.USA, 84, 1987
2DVU
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BU of 2dvu by Molmil
Crystal Structure of 2,6-Dihydroxybenzoate Decarboxylase Complexed with 2,6-Dihydroxybenzoate
Descriptor: 2,6-DIHYDROXYBENZOIC ACID, Thermophilic reversible gamma-resorcylate decarboxylase, ZINC ION
Authors:Goto, M.
Deposit date:2006-08-01
Release date:2006-09-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Nonoxidative Zn-Dependent 2,6-Dihydroxybenzoate (gamma-Resorcylate) Decarboxylase from Rhizobium sp. Strain MTP-10005
To be Published
2DX8
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BU of 2dx8 by Molmil
Crystal Structure Analysis of the PHD domain of the Transcription Coactivator Pygophus
Descriptor: Pygopus homolog 1, ZINC ION
Authors:Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-24
Release date:2007-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure Analysis of the PHD Domain of the Transcription Coactivator Pygopus
To be Published
2DXN
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BU of 2dxn by Molmil
Glycerophosphodiesterase from Enterobacter aerogenes
Descriptor: Phosphohydrolase, ZINC ION
Authors:Jackson, C.J, Carr, P.D, Ollis, D.L.
Deposit date:2006-08-28
Release date:2007-05-22
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:The structure and function of a novel glycerophosphodiesterase from Enterobacter aerogenes
J.Mol.Biol., 367, 2007
2EK0
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BU of 2ek0 by Molmil
Stage V Sporolation Protein S (SPOVS) from Thermus thermophilus Zinc form
Descriptor: Stage V sporulation protein S (SpoVS) related protein, ZINC ION
Authors:Rehse, P.H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-22
Release date:2007-09-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stage V Sporolation Protein S (SPOVS) from Thermus thermophilus Zinc form
To be Published
2EG6
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BU of 2eg6 by Molmil
The crystal structure of the ligand-free dihydroorotase from E. coli
Descriptor: Dihydroorotase, ZINC ION
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-02-28
Release date:2007-07-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design
J.Mol.Biol., 370, 2007
2E4G
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BU of 2e4g by Molmil
RebH with bound L-Trp
Descriptor: TRYPTOPHAN, Tryptophan halogenase
Authors:Blasiak, L.C, Drennan, C.L.
Deposit date:2006-12-07
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Chlorination by a long-lived intermediate in the mechanism of flavin-dependent halogenases
Biochemistry, 46, 2007
2E59
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BU of 2e59 by Molmil
Crystal structure of human MD-2 in complex with lipid IVa
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, ...
Authors:Ohto, U, Satow, Y.
Deposit date:2006-12-19
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures of human MD-2 and its complex with antiendotoxic lipid IVa
Science, 316, 2007
2EMQ
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BU of 2emq by Molmil
Hypothetical Conserved Protein (GK1048) from Geobacillus Kaustophilus
Descriptor: Hypothetical conserved protein
Authors:Rehse, P.H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hypothetical Conserved Protein (GK1048) from Geobacillus Kaustophilus
To be Published
2ENW
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BU of 2enw by Molmil
Mutant Y92H structure of TTHB049 from Thermus thermophilus HB8
Descriptor: Alpha-ribazole-5'-phosphate phosphatase, GLYCEROL
Authors:Shimizu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutant Y92H structure of TTHB049 from Thermus thermophilus HB8
To be Published
2EFT
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BU of 2eft by Molmil
Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A (high concentration (1.7mM) soak)
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, COENZYME A, METHANETHIOL, ...
Authors:Alhamadsheh, M.M, Musayev, F, Komissarov, A.A, Sachdeva, S, Wright, H.T, Scarsdale, N, Florova, G, Reynolds, K.A.
Deposit date:2007-02-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes
Chem.Biol., 14, 2007
2EGK
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BU of 2egk by Molmil
Crystal Structure of Tamalin PDZ-Intrinsic Ligand Fusion Protein
Descriptor: General receptor for phosphoinositides 1-associated scaffold protein, PHOSPHATE ION
Authors:Sugi, T, Oyama, T, Muto, T, Nakanishi, S, Morikawa, K, Jingami, H.
Deposit date:2007-03-01
Release date:2007-05-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of autoinhibitory PDZ domain of Tamalin: implications for metabotropic glutamate receptor trafficking regulation
Embo J., 26, 2007
2EJ3
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BU of 2ej3 by Molmil
Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with Gabapentin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Branched-chain amino acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Goto, M.
Deposit date:2007-03-14
Release date:2008-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with Gabapentin
To be Published
2EER
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BU of 2eer by Molmil
Structural study of Project ID ST2577 from Sulfolobus tokodaii strain7
Descriptor: NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Asada, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-17
Release date:2007-08-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural study of Project ID ST2577 from Sulfolobus tokodaii strain7
To be Published
4UQI
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BU of 4uqi by Molmil
AP2 controls clathrin polymerization with a membrane-activated switch
Descriptor: AP-2 COMPLEX SUBUNIT ALPHA-2, AP-2 COMPLEX SUBUNIT BETA, AP-2 COMPLEX SUBUNIT MU, ...
Authors:Kelly, B.T, Graham, S.C, Liska, N, Dannhauser, P.N, Hoening, S, Ungewickell, E.J, Owen, D.J.
Deposit date:2014-06-23
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Clathrin Adaptors. Ap2 Controls Clathrin Polymerization with a Membrane-Activated Switch.
Science, 345, 2014
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
Authors:Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UTT
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BU of 4utt by Molmil
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Descriptor: ACETATE ION, CHLORIDE ION, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway.
J.Biol.Chem., 289, 2014
4V3O
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BU of 4v3o by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: ACETATE ION, CALCIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
4WB3
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BU of 4wb3 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WBR
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BU of 4wbr by Molmil
Structure of Bradyrhizobium japonicum ScoI with copper bound
Descriptor: Blr1131 protein, COPPER (II) ION
Authors:Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Bradyrhizobium japonicum ScoI with copper bound
To Be Published
4WDH
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BU of 4wdh by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UWF
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BU of 4uwf by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4WA3
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BU of 4wa3 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WDD
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BU of 4wdd by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4W5B
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BU of 4w5b by Molmil
Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)
Descriptor: Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
Authors:Tochowicz, A, McKerrow, J.H, Craik, C.S.
Deposit date:2014-08-17
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published

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