1BP0
 
 | | THYMIDYLATE SYNTHASE R23I MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 2000-01-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1BO8
 | | THYMIDYLATE SYNTHASE R178T MUTANT | | Descriptor: | POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-10 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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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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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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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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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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4JEF
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4J6E
 | | Structure of LPXI D225A Mutant | | Descriptor: | (2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate, 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: | 2013-02-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | LpxI structures reveal how a lipid A precursor is synthesized.
Nat.Struct.Mol.Biol., 19, 2012
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4K1C
 | | VCX1 Calcium/Proton Exchanger | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, IODIDE ION, ... | | Authors: | Waight, A.B, Pedersen, B.P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for alternating access of a eukaryotic calcium/proton exchanger.
Nature, 499, 2013
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4K0E
 | | X-ray crystal structure of a heavy metal efflux pump, crystal form II | | Descriptor: | Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION | | Authors: | Pak, J.E, Ngonlong Ekende, E, Vandenbussche, G, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2013-04-03 | | Release date: | 2013-10-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.713 Å) | | Cite: | Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4K0J
 | | X-ray crystal structure of a heavy metal efflux pump, crystal form I | | Descriptor: | Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION | | Authors: | Pak, J.E, Stroud, R.M, Ngonlong Ekende, E, Vandenbussche, G, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2013-04-04 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LGT
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4LAB
 | | Crystal structure of the catalytic domain of RluB | | Descriptor: | CHLORIDE ION, PLATINUM (II) ION, Ribosomal large subunit pseudouridine synthase B | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-06-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5043 Å) | | Cite: | The mechanism of pseudouridine synthases from a covalent complex with RNA, and alternate specificity for U2605 versus U2604 between close homologs.
Nucleic Acids Res., 42, 2014
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1NN6
 | | Human Pro-Chymase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase | | Authors: | Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M. | | Deposit date: | 2003-01-12 | | Release date: | 2003-03-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of human pro-chymase: a model for the activating transition of granule-associated proteases.
Biochemistry, 42, 2003
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2A9W
 | | E. coli TS complexed with dUMP and inhibitor GA9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | Deposit date: | 2005-07-12 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
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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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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
 | | 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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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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1SYN
 | | E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Stout, T.J, Stroud, R.M. | | Deposit date: | 1995-09-19 | | Release date: | 1996-01-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The complex of the anti-cancer therapeutic, BW1843U89, with thymidylate synthase at 2.0 A resolution: implications for a new mode of inhibition.
Structure, 4, 1996
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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
 | | 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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1TDC
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-02-15 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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1TDB
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-02-15 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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1TDA
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-02-15 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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