3S18
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1SZR
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![BU of 1szr by Molmil](/molmil-images/mine/1szr) | A Dimer interface mutant of ornithine decarboxylase reveals structure of gem diamine intermediate | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE, Ornithine decarboxylase, ... | Authors: | Jackson, L.K, Baldwin, J, Goldsmith, E.J, Phillips, M.A. | Deposit date: | 2004-04-06 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Multiple active site conformations revealed by distant site mutation in ornithine decarboxylase Biochemistry, 43, 2004
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6DGI
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3FDL
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![BU of 3fdl by Molmil](/molmil-images/mine/3fdl) | Bim BH3 peptide in complex with Bcl-xL | Descriptor: | Apoptosis regulator Bcl-X, Bcl-2-like protein 11 | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | Deposit date: | 2008-11-26 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L) Angew.Chem.Int.Ed.Engl., 48, 2009
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5OUG
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![BU of 5oug by Molmil](/molmil-images/mine/5oug) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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3RNZ
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5OUI
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![BU of 5oui by Molmil](/molmil-images/mine/5oui) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017 | Descriptor: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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4RMF
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![BU of 4rmf by Molmil](/molmil-images/mine/4rmf) | Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | Authors: | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | Deposit date: | 2014-10-21 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target. Plos One, 9, 2014
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1RNO
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![BU of 1rno by Molmil](/molmil-images/mine/1rno) | RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | Deposit date: | 1995-11-08 | Release date: | 1996-04-03 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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2J2I
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![BU of 2j2i by Molmil](/molmil-images/mine/2j2i) | Crystal Structure of the humab PIM1 in complex with LY333531 | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | Deposit date: | 2006-08-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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1DAH
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![BU of 1dah by Molmil](/molmil-images/mine/1dah) | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7,8-DIAMINO-NONANOIC ACID, 5'-ADENOSYL-METHYLENE-TRIPHOSPHATE, AND MANGANESE | Descriptor: | 7,8-DIAMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE, MANGANESE (II) ION, ... | Authors: | Huang, W, Jia, J, Schneider, G, Lindqvist, Y. | Deposit date: | 1995-05-08 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate. Biochemistry, 34, 1995
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1DAI
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![BU of 1dai by Molmil](/molmil-images/mine/1dai) | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID | Descriptor: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, DETHIOBIOTIN SYNTHETASE | Authors: | Huang, W, Jia, J, Schneider, G, Lindqvist, Y. | Deposit date: | 1995-05-08 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate. Biochemistry, 34, 1995
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3RO1
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5OUH
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![BU of 5ouh by Molmil](/molmil-images/mine/5ouh) | Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, Alpha-Lobeline, ... | Authors: | Delbart, F, Gruss, F, Ulens, C. | Deposit date: | 2017-08-23 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein. J. Biol. Chem., 293, 2018
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3ZRB
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![BU of 3zrb by Molmil](/molmil-images/mine/3zrb) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, Mcguire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3ZR7
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![BU of 3zr7 by Molmil](/molmil-images/mine/3zr7) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, PROGESTERONE RECEPTOR, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3FDM
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![BU of 3fdm by Molmil](/molmil-images/mine/3fdm) | alpha/beta foldamer in complex with Bcl-xL | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator Bcl-X, alpha/beta-peptide foldamer | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M, Sadowsky, J.D, Peterson-Kaufman, K.J, Gellman, S.H. | Deposit date: | 2008-11-26 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L) Angew.Chem.Int.Ed.Engl., 48, 2009
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3FOU
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3T3P
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![BU of 3t3p by Molmil](/molmil-images/mine/3t3p) | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS Sci Transl Med, 4, 2012
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2PE6
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![BU of 2pe6 by Molmil](/molmil-images/mine/2pe6) | Non-covalent complex between human SUMO-1 and human Ubc9 | Descriptor: | SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | Authors: | Capili, A.D, Lima, C.D. | Deposit date: | 2007-04-02 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Analysis of a Complex between SUMO and Ubc9 Illustrates Features of a Conserved E2-Ubl Interaction. J.Mol.Biol., 369, 2007
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8GR9
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![BU of 8gr9 by Molmil](/molmil-images/mine/8gr9) | Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A | Descriptor: | CHLORIDE ION, COENZYME A, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GR8
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![BU of 8gr8 by Molmil](/molmil-images/mine/8gr8) | Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GQZ
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![BU of 8gqz by Molmil](/molmil-images/mine/8gqz) | Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae | Descriptor: | ACETATE ION, CHLORIDE ION, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-08-31 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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4NK1
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![BU of 4nk1 by Molmil](/molmil-images/mine/4nk1) | Crystal structure of phosphate-bound Hell's gate globin IV | Descriptor: | Hemoglobin-like protein, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jamil, F. | Deposit date: | 2013-11-12 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium. J.Biochem., 156, 2014
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5PAH
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![BU of 5pah by Molmil](/molmil-images/mine/5pah) | |