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1UX0
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BU of 1ux0 by Molmil
Bacillus subtilis cytidine deaminase with an Arg56 - Gln substitution
Descriptor: CYTIDINE DEAMINASE, TETRAHYDRODEOXYURIDINE, ZINC ION
Authors:Johansson, E, Neuhard, J, Willemoes, M, Larsen, S.
Deposit date:2004-02-18
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural, Kinetic, and Mutational Studies of the Zinc Ion Environment in Tetrameric Cytidine Deaminase
Biochemistry, 43, 2004
4X01
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BU of 4x01 by Molmil
S. pombe Ctp1 tetramerization domain
Descriptor: 1,2-ETHANEDIOL, DNA binding ctp1
Authors:Andres, S.N, Williams, R.S.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Tetrameric Ctp1 coordinates DNA binding and DNA bridging in DNA double-strand-break repair.
Nat.Struct.Mol.Biol., 22, 2015
1VYP
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BU of 1vyp by Molmil
Structure of pentaerythritol tetranitrate reductase W102F mutant and complexed with picric acid
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
Authors:Barna, T, Moody, P.C.E.
Deposit date:2004-05-04
Release date:2004-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
1VYR
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BU of 1vyr by Molmil
Structure of pentaerythritol tetranitrate reductase complexed with picric acid
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
Authors:Barna, T, Moody, P.C.E.
Deposit date:2004-05-05
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
5C9L
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BU of 5c9l by Molmil
Crystal structure of native PLL lectin from Photorhabdus luminescens at 1.65 A resolution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M.
Deposit date:2015-06-27
Release date:2016-10-19
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
3OJF
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BU of 3ojf by Molmil
Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)
Descriptor: (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, S.J, Ha, B.H, Kim, K.H, Hong, S.K, Suh, S.W, Kim, E.E.
Deposit date:2010-08-22
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus
Biochem.Biophys.Res.Commun., 400, 2010
4Z0I
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BU of 4z0i by Molmil
Crystal structure of a tetramer of GluA2 ligand binding domains bound with glutamate at 1.45 Angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Baranovic, J, Chebli, M, Salazar, H, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R.
Deposit date:2015-03-26
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the tetrameric wt GluA2 ligand-binding domain bound to glutamate at 1.45 Angstroms resolution
To Be Published
2Q81
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BU of 2q81 by Molmil
Crystal Structure of the Miz-1 BTB/POZ domain
Descriptor: Miz-1 protein, TETRAETHYLENE GLYCOL
Authors:Stead, M.A, Trinh, C.H, Garnett, J.A, Carr, S.B, Edwards, T.A, Wright, S.C.
Deposit date:2007-06-08
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Beta-Sheet Interaction Interface Directs the Tetramerisation of the Miz-1 POZ Domain
J.Mol.Biol., 373, 2007
1MXJ
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BU of 1mxj by Molmil
NMR solution structure of benz[a]anthracene-dG in ras codon 12,2; GGCAGXTGGTG
Descriptor: 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*G)-3'
Authors:Kim, H.-Y.H, Wilkinson, A.S, Harris, C.M, Harris, T.M, Stone, M.P.
Deposit date:2002-10-02
Release date:2003-03-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Minor Groove Orientation for the (1S,2R,3S,4R)-N2-[1-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-benz[a]anthracenyl)]-2'-deoxyguanosyl Adduct in the N-ras Codon 12 sequence
Biochemistry, 42, 2003
4W5I
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BU of 4w5i by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one
Descriptor: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2014-08-18
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
3D0B
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BU of 3d0b by Molmil
Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90
Descriptor: 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide, Heat shock protein HSP 90-alpha
Authors:Barta, T.E, Veal, J.M, Huang, K.H, Hall, S.H.
Deposit date:2008-05-01
Release date:2008-06-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90
BIOORG.MED.CHEM.LETT., 18, 2008
8CLR
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BU of 8clr by Molmil
Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop
Descriptor: RNA hairpin with CUUG tetraloop
Authors:Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H.
Deposit date:2023-02-17
Release date:2023-07-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6RCX
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BU of 6rcx by Molmil
Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC.
Descriptor: CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
4COQ
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BU of 4coq by Molmil
The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide.
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ...
Authors:James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A.
Deposit date:2014-01-30
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
6RBJ
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BU of 6rbj by Molmil
Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ...
Authors:Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
2G8N
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BU of 2g8n by Molmil
Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Gee, C.L, Martin, J.L.
Deposit date:2006-03-02
Release date:2006-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase
J.Med.Chem., 49, 2006
3W1P
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BU of 3w1p by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Descriptor: 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors:Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
Deposit date:2012-11-19
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
To be Published
6S52
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BU of 6s52 by Molmil
The crystal structure of glycogen phosphorylase in complex with 14
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2019-06-29
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
3VPR
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BU of 3vpr by Molmil
Crystal Structure of a TetR Family Transcriptional Regulator PfmR from Thermus thermophilus HB8
Descriptor: Transcriptional regulator, TetR family
Authors:Agari, Y, Sakamoto, K, Kuramitsu, S, Shinkai, A.
Deposit date:2012-03-12
Release date:2012-07-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Transcriptional repression mediated by a TetR family protein, PfmR, from Thermus thermophilus HB8
J.Bacteriol., 2012
7YY5
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BU of 7yy5 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9
Descriptor: 2-naphthalen-2-ylethanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYB
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BU of 7yyb by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 15
Descriptor: 4-hydroxy-6-methyl-2H-1-benzopyran-2-one, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY6
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BU of 7yy6 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 10
Descriptor: 6-methylpyridine-2,3-dicarboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY9
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BU of 7yy9 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 13
Descriptor: 2-azanyl-4-chloranyl-benzenecarbonitrile, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY3
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BU of 7yy3 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 7
Descriptor: 5-fluoroindole-2-carboxylic acid, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022

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数据于2024-07-17公开中

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