2QDC
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5RBV
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![BU of 5rbv by Molmil](/molmil-images/mine/5rbv) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCB
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![BU of 5rcb by Molmil](/molmil-images/mine/5rcb) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G09a | Descriptor: | (2R)-2-(acetylamino)-4-phenylbutanoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCR
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![BU of 5rcr by Molmil](/molmil-images/mine/5rcr) | PanDDA analysis group deposition -- Endothiapepsin ground state model 13 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDL
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![BU of 5rdl by Molmil](/molmil-images/mine/5rdl) | PanDDA analysis group deposition -- Endothiapepsin ground state model 45 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RD1
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![BU of 5rd1 by Molmil](/molmil-images/mine/5rd1) | PanDDA analysis group deposition -- Endothiapepsin ground state model 23 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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1CE8
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![BU of 1ce8 by Molmil](/molmil-images/mine/1ce8) | CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, INOSINIC ACID, ... | Authors: | Thoden, J.B, Raushel, F.M, Holden, H.M. | Deposit date: | 1999-03-18 | Release date: | 1999-07-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The binding of inosine monophosphate to Escherichia coli carbamoyl phosphate synthetase. J.Biol.Chem., 274, 1999
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5RBY
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![BU of 5rby by Molmil](/molmil-images/mine/5rby) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D11b | Descriptor: | 3-(1,3-thiazol-2-yl)propanoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCE
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![BU of 5rce by Molmil](/molmil-images/mine/5rce) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H05a | Descriptor: | 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RBS
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![BU of 5rbs by Molmil](/molmil-images/mine/5rbs) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C08a | Descriptor: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RC8
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![BU of 5rc8 by Molmil](/molmil-images/mine/5rc8) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G02a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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2OQA
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![BU of 2oqa by Molmil](/molmil-images/mine/2oqa) | X-ray Sequence and Crystal Structure of Luffaculin 1, a Novel Type 1 Ribosome-inactivating Protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Luffaculin 1, ... | Authors: | Hou, X, Huang, M. | Deposit date: | 2007-01-31 | Release date: | 2007-05-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray sequence and crystal structure of luffaculin 1, a novel type 1 ribosome-inactivating protein Bmc Struct.Biol., 7, 2007
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5RCO
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![BU of 5rco by Molmil](/molmil-images/mine/5rco) | PanDDA analysis group deposition -- Endothiapepsin ground state model 09 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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2OVS
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2QDP
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2R44
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2QTD
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2JXF
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![BU of 2jxf by Molmil](/molmil-images/mine/2jxf) | The solution structure of HCV NS4B(40-69) | Descriptor: | Genome polyprotein | Authors: | Montserret, R, Penin, F. | Deposit date: | 2007-11-19 | Release date: | 2008-11-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Identification of a Novel Determinant for Membrane Association in Hepatitis C Virus Nonstructural Protein 4B J.Virol., 83, 2009
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2J4J
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![BU of 2j4j by Molmil](/molmil-images/mine/2j4j) | Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UMP and AMPPCP to 2.1 Angstrom resolution | Descriptor: | COBALT (II) ION, MAGNESIUM ION, P1-(5'-ADENOSINE)P4-(5'-URIDINE)-BETA,GAMMA-METHYLENE TETRAPHOSPHATE, ... | Authors: | Jensen, K.S, Johansson, E, Jensen, K.F. | Deposit date: | 2006-09-01 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Enzymatic Investigation of the Sulfolobus Solfataricus Uridylate Kinase Shows Competitive Utp Inhibition and the Lack of GTP Stimulation Biochemistry, 46, 2007
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1MTY
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![BU of 1mty by Molmil](/molmil-images/mine/1mty) | METHANE MONOOXYGENASE HYDROXYLASE FROM METHYLOCOCCUS CAPSULATUS (BATH) | Descriptor: | FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE | Authors: | Rosenzweig, A.C, Nordlund, P, Lippard, S.J, Frederick, C.A. | Deposit date: | 1996-07-10 | Release date: | 1997-04-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath): implications for substrate gating and component interactions. Proteins, 29, 1997
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1WPM
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![BU of 1wpm by Molmil](/molmil-images/mine/1wpm) | Structure of Bacillus subtilis inorganic pyrophosphatase | Descriptor: | Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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1P7T
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![BU of 1p7t by Molmil](/molmil-images/mine/1p7t) | Structure of Escherichia coli malate synthase G:pyruvate:acetyl-Coenzyme A abortive ternary complex at 1.95 angstrom resolution | Descriptor: | ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Anstrom, D.M, Kallio, K, Remington, S.J. | Deposit date: | 2003-05-05 | Release date: | 2003-09-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the Escherichia Coli Malate Synthase G:pyruvate:acetyl-coenzyme A Abortive Ternary Complex at 1.95 Angstrom Resolution Protein Sci., 12, 2003
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2IW4
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![BU of 2iw4 by Molmil](/molmil-images/mine/2iw4) | CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP | Descriptor: | FE (III) ION, GLYCEROL, IMIDODIPHOSPHORIC ACID, ... | Authors: | Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A. | Deposit date: | 2006-06-26 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Trimetal Site and Substrate Distortion in a Family II Inorganic Pyrophosphatase. J.Biol.Chem., 282, 2007
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2ICA
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![BU of 2ica by Molmil](/molmil-images/mine/2ica) | CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | Descriptor: | 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L | Authors: | Sheriff, S, Einspahr, H. | Deposit date: | 2006-09-12 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1. J.Med.Chem., 49, 2006
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2J6I
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