1YRQ
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![BU of 1yrq by Molmil](/molmil-images/mine/1yrq) | Structure of the ready oxidized form of [NiFe]-hydrogenase | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Volbeda, A, Martin, L, Cavazza, C, Matho, M, Faber, B.W, Roseboom, W, Albracht, S.P, Garcin, E, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2005-02-04 | Release date: | 2005-04-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases. J.Biol.Inorg.Chem., 10, 2005
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2BSM
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![BU of 2bsm by Molmil](/molmil-images/mine/2bsm) | Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-23 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
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2Y01
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![BU of 2y01 by Molmil](/molmil-images/mine/2y01) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB102) | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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2MGN
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![BU of 2mgn by Molmil](/molmil-images/mine/2mgn) | Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC3 | Descriptor: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3', N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide | Authors: | Chung, W.J, Heddi, B, Hamon, F, Teulade-Fichou, M.P, Phan, A.T. | Deposit date: | 2013-11-01 | Release date: | 2014-01-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of a G-quadruplex Bound to the Bisquinolinium Compound Phen-DC3. Angew.Chem.Int.Ed.Engl., 53, 2014
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5L3J
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![BU of 5l3j by Molmil](/molmil-images/mine/5l3j) | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | Descriptor: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | Authors: | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | Deposit date: | 2016-05-23 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors. J.Med.Chem., 59, 2016
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2LXD
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![BU of 2lxd by Molmil](/molmil-images/mine/2lxd) | Backbone 1H, 13C, and 15N Chemical Shift Assignments for LMO2(LIM2)-Ldb1(LID) | Descriptor: | Rhombotin-2,LIM domain-binding protein 1, ZINC ION | Authors: | Dastmalchi, S, Wilkinson-White, L, Kwan, A.H, Gamsjaeger, R, Mackay, J.P, Matthews, J.M. | Deposit date: | 2012-08-20 | Release date: | 2012-09-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a tethered Lmo2(LIM2) /Ldb1(LID) complex. Protein Sci., 21, 2012
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6PHH
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2UVN
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![BU of 2uvn by Molmil](/molmil-images/mine/2uvn) | Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, CYTOCHROME P450 130, FLUORIDE ION, ... | Authors: | Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2007-03-12 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs J.Biol.Chem., 283, 2008
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5C7I
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2XNX
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![BU of 2xnx by Molmil](/molmil-images/mine/2xnx) | BC1 fragment of streptococcal M1 protein in complex with human fibrinogen | Descriptor: | FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ... | Authors: | Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P. | Deposit date: | 2010-08-06 | Release date: | 2011-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network Nature, 472, 2011
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5U41
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![BU of 5u41 by Molmil](/molmil-images/mine/5u41) | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | Descriptor: | 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1YSG
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![BU of 1ysg by Molmil](/molmil-images/mine/1ysg) | Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands | Descriptor: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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1C3F
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![BU of 1c3f by Molmil](/molmil-images/mine/1c3f) | Endo-Beta-N-Acetylglucosaminidase H, D130N Mutant | Descriptor: | ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H | Authors: | Rao, V, Cui, T, Guan, C, Van Roey, P. | Deposit date: | 1999-07-27 | Release date: | 1999-11-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mutations of endo-beta-N-acetylglucosaminidase H active site residues Asp130 and Glu132: activities and conformations. Protein Sci., 8, 1999
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1ERC
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![BU of 1erc by Molmil](/molmil-images/mine/1erc) | THE NMR SOLUTION STRUCTURE OF THE PHEROMONE ER-1 FROM THE CILIATED PROTOZOAN EUPLOTES RAIKOVI | Descriptor: | PHEROMONE ER-1 | Authors: | Mronga, S, Luginbuhl, P, Brown, L.R, Ortenzi, C, Luporini, P, Bradshaw, R.A, Wuthrich, K. | Deposit date: | 1994-02-14 | Release date: | 1994-10-15 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | The NMR solution structure of the pheromone Er-1 from the ciliated protozoan Euplotes raikovi. Protein Sci., 3, 1994
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4X9X
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![BU of 4x9x by Molmil](/molmil-images/mine/4x9x) | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family | Descriptor: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | Authors: | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | Deposit date: | 2014-12-11 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family. J.Biol.Chem., 291, 2016
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1OA4
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![BU of 1oa4 by Molmil](/molmil-images/mine/1oa4) | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability | Descriptor: | ENDO-BETA-1,4-GLUCANASE | Authors: | Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C. | Deposit date: | 2002-12-28 | Release date: | 2003-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability Protein Sci., 12, 2003
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4XAE
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![BU of 4xae by Molmil](/molmil-images/mine/4xae) | Structure of Feruloyl-CoA 6-hydroxylase (F6H) from Arabidopsis thaliana | Descriptor: | Feruloyl CoA ortho-hydroxylase 1, SODIUM ION | Authors: | Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Rose, J, Yan, Y. | Deposit date: | 2014-12-14 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.769 Å) | Cite: | Structural Insights into Substrate Specificity of Feruloyl-CoA 6'-Hydroxylase from Arabidopsis thaliana. Sci Rep, 5, 2015
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7QDJ
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![BU of 7qdj by Molmil](/molmil-images/mine/7qdj) | Racemic structure of PK-10 and PK-11 | Descriptor: | GLYCEROL, MALONATE ION, PK-10+PK-11, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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3R84
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![BU of 3r84 by Molmil](/molmil-images/mine/3r84) | Structure of the Mediator head subcomplex Med11/22 | Descriptor: | Mediator of RNA polymerase II transcription subunit 11, Mediator of RNA polymerase II transcription subunit 22 | Authors: | Seizl, M, Lariviere, L, Pfaffenender, T, Wenzeck, L, Cramer, P. | Deposit date: | 2011-03-23 | Release date: | 2011-04-27 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mediator head subcomplex Med11/22 contains a common helix bundle building block with a specific function in transcription initiation complex stabilization. Nucleic Acids Res., 39, 2011
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5TTF
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![BU of 5ttf by Molmil](/molmil-images/mine/5ttf) | Crystal structure of catalytic domain of G9a with MS012 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-03 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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4E2R
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3M1V
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![BU of 3m1v by Molmil](/molmil-images/mine/3m1v) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-05 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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8I0J
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![BU of 8i0j by Molmil](/molmil-images/mine/8i0j) | JB13GH39P28 mutant-D41G | Descriptor: | CHLORIDE ION, Glycoside hydrolase family 39 beta-xylosidase | Authors: | Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X. | Deposit date: | 2023-01-11 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | beta-Xylosidase JB13GH39P28 (D41G) showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides To Be Published
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7F6T
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1BX0
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![BU of 1bx0 by Molmil](/molmil-images/mine/1bx0) | Ferredoxin:nadp+ oxidoreductase (ferredoxin reductase) mutant e312l | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE), ... | Authors: | Aliverti, A, Deng, Z, Ravasi, D, Piubelli, L, Karplus, P.A, Zanetti, G. | Deposit date: | 1998-10-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the function of the invariant glutamyl residue 312 in spinach ferredoxin-NADP+ reductase. J.Biol.Chem., 273, 1998
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