3DZE
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![BU of 3dze by Molmil](/molmil-images/mine/3dze) | Crystal structure of bovine coupling Factor B bound with cadmium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ... | Authors: | Lee, J.K, Stroud, R.M, Belogrudov, G.I. | Deposit date: | 2008-07-29 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structure of bovine mitochondrial factor B at 0.96-A resolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3DLV
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![BU of 3dlv by Molmil](/molmil-images/mine/3dlv) | Structures of SRP54 and SRP19, the two proteins assembling the ribonucleic core of the Signal Recognition Particle from the archaeon Pyrococcus furiosus. | Descriptor: | Signal recognition particle 19 kDa protein | Authors: | Egea, P.F, Napetschnig, J, Walter, P, Stroud, R.M. | Deposit date: | 2008-06-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of SRP54 and SRP19, the two proteins that organize the ribonucleic core of the signal recognition particle from Pyrococcus furiosus. Plos One, 3, 2008
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3E70
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![BU of 3e70 by Molmil](/molmil-images/mine/3e70) | Structures and conformations in solution of the Signal Recognition Particle Receptor from the Archaeon Pyrococcus Furiosus | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Signal recognition particle receptor | Authors: | Egea, P.F, Tsuruta, H, Napetschnig, J, Walter, P, Stroud, R.M. | Deposit date: | 2008-08-17 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of the signal recognition particle receptor from the archaeon Pyrococcus furiosus: implications for the targeting step at the membrane. Plos One, 3, 2008
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3GHH
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![BU of 3ghh by Molmil](/molmil-images/mine/3ghh) | Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ecto-NAD+ glycohydrolase (CD38 molecule), SULFATE ION, ... | Authors: | Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N.J, Kellenberger, E, Schuber, F. | Deposit date: | 2009-03-03 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. Plos One, 7, 2012
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3GC6
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![BU of 3gc6 by Molmil](/molmil-images/mine/3gc6) | Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ecto-NAD+ glycohydrolase (CD38 molecule), SULFATE ION | Authors: | Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N, Kellenberger, E, Schuber, F. | Deposit date: | 2009-02-21 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. Plos One, 7, 2012
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3GD8
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![BU of 3gd8 by Molmil](/molmil-images/mine/3gd8) | Crystal Structure of Human Aquaporin 4 at 1.8 and its Mechanism of Conductance | Descriptor: | Aquaporin-4, GLYCEROL, octyl beta-D-glucopyranoside | Authors: | Ho, J.D, Yeh, R, Sandstrom, A, Chorny, I, Harries, W.E.C, Robbins, R.A, Miercke, L.J.W, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2009-02-23 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human aquaporin 4 at 1.8 A and its mechanism of conductance. Proc.Natl.Acad.Sci.USA, 106, 2009
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3FBV
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![BU of 3fbv by Molmil](/molmil-images/mine/3fbv) | Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1 | Descriptor: | N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Korennykh, A.V, Egea, P.F, Korostelev, A.A, Finer-Moore, J, Zhang, C, Shokat, K.M, Stroud, R.M, Walter, P. | Deposit date: | 2008-11-19 | Release date: | 2008-12-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The unfolded protein response signals through high-order assembly of Ire1. Nature, 457, 2009
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3GH3
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![BU of 3gh3 by Molmil](/molmil-images/mine/3gh3) | Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, Ecto-NAD+ glycohydrolase (CD38 molecule), ... | Authors: | Egea, P.F, Muller-Steffner, H, Stroud, R.M, Kellenberger, E, Oppenheimer, N, Schuber, F. | Deposit date: | 2009-03-02 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. Plos One, 7, 2012
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4ICD
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![BU of 4icd by Molmil](/molmil-images/mine/4icd) | REGULATION OF ISOCITRATE DEHYDROGENASE BY PHOSPHORYLATION INVOLVES NO LONG-RANGE CONFORMATIONAL CHANGE IN THE FREE ENZYME | Descriptor: | PHOSPHORYLATED ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Thorsness, P.E, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1989-12-28 | Release date: | 1991-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of isocitrate dehydrogenase by phosphorylation involves no long-range conformational change in the free enzyme. J.Biol.Chem., 265, 1990
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4E28
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![BU of 4e28 by Molmil](/molmil-images/mine/4e28) | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | Descriptor: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ... | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | Deposit date: | 2012-03-07 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase. J.Med.Chem., 55, 2012
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4FGT
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![BU of 4fgt by Molmil](/molmil-images/mine/4fgt) | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | Descriptor: | CG peptide, SULFATE ION, Thymidylate synthase | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | Deposit date: | 2012-06-04 | Release date: | 2013-03-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. J.Med.Chem., 58, 2015
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2BH2
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![BU of 2bh2 by Molmil](/molmil-images/mine/2bh2) | Crystal Structure of E. coli 5-methyluridine methyltransferase RumA in complex with ribosomal RNA substrate and S-adenosylhomocysteine. | Descriptor: | 23S RIBOSOMAL RNA 1932-1968, 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, IRON/SULFUR CLUSTER, ... | Authors: | Lee, T.T, Agarwalla, S, Stroud, R.M. | Deposit date: | 2005-01-06 | Release date: | 2005-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Unique RNA Fold in the Ruma-RNA-Cofactor Ternary Complex Contributes to Substrate Selectivity and Enzymatic Function Cell(Cambridge,Mass.), 120, 2005
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1ZPR
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![BU of 1zpr by Molmil](/molmil-images/mine/1zpr) | E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M. | Deposit date: | 1996-10-15 | Release date: | 1997-07-07 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q. Biochemistry, 35, 1996
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6C9W
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![BU of 6c9w by Molmil](/molmil-images/mine/6c9w) | Crystal Structure of a ligand bound LacY/Nanobody Complex | Descriptor: | 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, Nanobody9047, ... | Authors: | Kumar, H, Finer-Moore, J.S, Jiang, X, Smirnova, I, Kasho, V, Pardon, E, Steyaert, J, Kaback, H.R, Stroud, R.M. | Deposit date: | 2018-01-29 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of a ligand-bound LacY-Nanobody Complex. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CX0
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![BU of 6cx0 by Molmil](/molmil-images/mine/6cx0) | Structure of AtTPC1 D376A | Descriptor: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, CALCIUM ION, Two pore calcium channel protein 1 | Authors: | Kintzer, A.F, Stroud, R.M. | Deposit date: | 2018-04-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Structural basis for activation of voltage sensor domains in an ion channel TPC1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2FFH
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![BU of 2ffh by Molmil](/molmil-images/mine/2ffh) | THE SIGNAL SEQUENCE BINDING PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | CADMIUM ION, PROTEIN (FFH), SULFATE ION | Authors: | Keenan, R.J, Freymann, D.M, Walter, P, Stroud, R.M. | Deposit date: | 1999-06-29 | Release date: | 1999-07-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the signal sequence binding subunit of the signal recognition particle. Cell(Cambridge,Mass.), 94, 1998
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4TRJ
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![BU of 4trj by Molmil](/molmil-images/mine/4trj) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4TZK
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![BU of 4tzk by Molmil](/molmil-images/mine/4tzk) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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1NJB
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![BU of 1njb by Molmil](/molmil-images/mine/1njb) | THYMIDYLATE SYNTHASE | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1996-01-23 | Release date: | 1996-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
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1NJA
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![BU of 1nja by Molmil](/molmil-images/mine/1nja) | THYMIDYLATE SYNTHASE, MUTATION, N229C WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1996-01-23 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
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1NJC
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![BU of 1njc by Molmil](/molmil-images/mine/1njc) | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1996-01-23 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
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1NJD
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![BU of 1njd by Molmil](/molmil-images/mine/1njd) | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Finer-Moore, J, Stroud, R.M. | Deposit date: | 1996-01-23 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
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8SX9
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![BU of 8sx9 by Molmil](/molmil-images/mine/8sx9) | |
8SX8
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![BU of 8sx8 by Molmil](/molmil-images/mine/8sx8) | |
8SXB
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![BU of 8sxb by Molmil](/molmil-images/mine/8sxb) | |