1KCE
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![BU of 1kce by Molmil](/molmil-images/mine/1kce) | 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, Rutenber, E.E, Stout, T.J, Stroud, R.M. | Deposit date: | 1996-10-22 | Release date: | 1997-04-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 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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1JTU
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![BU of 1jtu by Molmil](/molmil-images/mine/1jtu) | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-22 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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2BE1
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![BU of 2be1 by Molmil](/molmil-images/mine/2be1) | Structure of the compact lumenal domain of yeast Ire1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, peptide | Authors: | Credle, J.J, Finer-Moore, J.S, Papa, F.R, Stroud, R.M, Walter, P. | Deposit date: | 2005-10-21 | Release date: | 2005-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.983 Å) | Cite: | Inaugural Article: On the mechanism of sensing unfolded protein in the endoplasmic reticulum Proc.Natl.Acad.Sci.Usa, 102, 2005
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2BCE
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![BU of 2bce by Molmil](/molmil-images/mine/2bce) | CHOLESTEROL ESTERASE FROM BOS TAURUS | Descriptor: | CHOLESTEROL ESTERASE | Authors: | Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. | Deposit date: | 1998-01-28 | Release date: | 1999-02-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation. Biochemistry, 37, 1998
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2AID
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![BU of 2aid by Molmil](/molmil-images/mine/2aid) | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | Deposit date: | 1997-04-17 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J.Biol.Chem., 268, 1993
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2AXY
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![BU of 2axy by Molmil](/molmil-images/mine/2axy) | Crystal Structure of KH1 domain of human Poly(C)-binding protein-2 with C-rich strand of human telomeric DNA | Descriptor: | C-rich strand of human telomeric dna, Poly(rC)-binding protein 2 | Authors: | Du, Z, Lee, J.K, Tjhen, R.J, Li, S, Stroud, R.M, James, T.L. | Deposit date: | 2005-09-06 | Release date: | 2005-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the First KH Domain of Human Poly(C)-binding Protein-2 in Complex with a C-rich Strand of Human Telomeric DNA at 1.7 A J.Biol.Chem., 280, 2005
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2EVU
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![BU of 2evu by Molmil](/molmil-images/mine/2evu) | Crystal structure of aquaporin AqpM at 2.3A resolution | Descriptor: | Aquaporin aqpM, GLYCEROL, octyl beta-D-glucopyranoside | Authors: | Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2005-10-31 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2F2B
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![BU of 2f2b by Molmil](/molmil-images/mine/2f2b) | Crystal structure of integral membrane protein Aquaporin AqpM at 1.68A resolution | Descriptor: | Aquaporin aqpM, GLYCEROL | Authors: | Lee, J.K, Kozono, D, Remis, J, Kitagawa, Y, Agre, P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2005-11-15 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2FR0
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![BU of 2fr0 by Molmil](/molmil-images/mine/2fr0) | |
4GGM
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![BU of 4ggm by Molmil](/molmil-images/mine/4ggm) | Structure of LpxI | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MAGNESIUM ION, UDP-2,3-diacylglucosamine pyrophosphatase LpxI | Authors: | Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2012-08-06 | Release date: | 2012-10-03 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | LpxI structures reveal how a lipid A precursor is synthesized. Nat.Struct.Mol.Biol., 19, 2012
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4HB1
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![BU of 4hb1 by Molmil](/molmil-images/mine/4hb1) | A DESIGNED FOUR HELIX BUNDLE PROTEIN. | Descriptor: | DHP1, UNKNOWN ATOM OR ION | Authors: | Schafmeister, C.E, Laporte, S.L, Miercke, L.J.W, Stroud, R.M. | Deposit date: | 1997-11-10 | Release date: | 1998-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A designed four helix bundle protein with native-like structure. Nat.Struct.Biol., 4, 1997
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4J37
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![BU of 4j37 by Molmil](/molmil-images/mine/4j37) | Crystal structure of the catalytic domain of human Pus1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2013-02-05 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities. J.Mol.Biol., 425, 2013
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4IQM
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![BU of 4iqm by Molmil](/molmil-images/mine/4iqm) | Crystal structure of the catalytic domain of human Pus1 | Descriptor: | tRNA pseudouridine synthase A, mitochondrial | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2013-01-11 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities. J.Mol.Biol., 425, 2013
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4ITS
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![BU of 4its by Molmil](/molmil-images/mine/4its) | Crystal structure of the catalytic domain of human Pus1 with MES in the active site | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, tRNA pseudouridine synthase A, ... | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2013-01-18 | Release date: | 2013-06-05 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities. J.Mol.Biol., 425, 2013
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4ISK
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![BU of 4isk by Molmil](/molmil-images/mine/4isk) | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2013-01-16 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells. J.Med.Chem., 56, 2013
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4JEF
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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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5DQQ
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![BU of 5dqq by Molmil](/molmil-images/mine/5dqq) | Structure, inhibition and regulation of two-pore channel TPC1 from Arabidopsis thaliana | Descriptor: | CALCIUM ION, PALMITIC ACID, Two pore calcium channel protein 1, ... | Authors: | Kintzer, A.F, Stroud, R.M. | Deposit date: | 2015-09-15 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.872 Å) | Cite: | Structure, inhibition and regulation of two-pore channel TPC1 from Arabidopsis thaliana Nature, 531, 2016
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5EQH
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![BU of 5eqh by Molmil](/molmil-images/mine/5eqh) | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EQG
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![BU of 5eqg by Molmil](/molmil-images/mine/5eqg) | Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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1AXW
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![BU of 1axw by Molmil](/molmil-images/mine/1axw) | |
5EQB
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![BU of 5eqb by Molmil](/molmil-images/mine/5eqb) | Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Proc.Natl.Acad.Sci.USA, 111, 2014
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5EQI
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![BU of 5eqi by Molmil](/molmil-images/mine/5eqi) | Human GLUT1 in complex with Cytochalasin B | Descriptor: | Cytochalasin B, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EU7
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![BU of 5eu7 by Molmil](/molmil-images/mine/5eu7) | Crystal structure of HIV-1 integrase catalytic core in complex with Fab | Descriptor: | FAB Heavy Chain, FAB light chain, Integrase | Authors: | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | Deposit date: | 2015-11-18 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical. Structure, 24, 2016
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7ICD
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![BU of 7icd by Molmil](/molmil-images/mine/7icd) | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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