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1F4E
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BU of 1f4e by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE
Descriptor: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FL1
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BU of 1fl1 by Molmil
KSHV PROTEASE
Descriptor: POTASSIUM ION, PROTEASE
Authors:Reiling, K.K, Pray, T.R, Craik, C.S, Stroud, R.M.
Deposit date:2000-08-11
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional consequences of the Kaposi's sarcoma-associated herpesvirus protease structure: regulation of activity and dimerization by conserved structural elements.
Biochemistry, 39, 2000
4ISK
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BU of 4isk by Molmil
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
1FFH
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BU of 1ffh by Molmil
N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS
Descriptor: FFH, MAGNESIUM ION
Authors:Freymann, D.M, Keenan, R.J, Stroud, R.M, Walter, P.
Deposit date:1996-12-30
Release date:1997-12-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the conserved GTPase domain of the signal recognition particle.
Nature, 385, 1997
4ITS
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BU of 4its by Molmil
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
4IQM
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BU of 4iqm by Molmil
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
4JEF
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BU of 4jef by Molmil
Crystal structure of human thymidylate synthase Y202A in inactive conformation.
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Tochowicz, A, Stroud, R.M, Wade, R.C.
Deposit date:2013-02-26
Release date:2014-08-20
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
1FX8
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BU of 1fx8 by Molmil
CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITH SUBSTRATE GLYCEROL
Descriptor: GLYCEROL, GLYCEROL UPTAKE FACILITATOR PROTEIN, octyl beta-D-glucopyranoside
Authors:Fu, D, Libson, A, Miercke, L.J.W, Weitzman, C, Nollert, P, Stroud, R.M.
Deposit date:2000-09-25
Release date:2000-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a glycerol-conducting channel and the basis for its selectivity.
Science, 290, 2000
4J6E
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BU of 4j6e by Molmil
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
4K1C
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BU of 4k1c by Molmil
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
4K0E
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BU of 4k0e by Molmil
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
4K0J
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BU of 4k0j by Molmil
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
4J37
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BU of 4j37 by Molmil
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
1OSF
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BU of 1osf by Molmil
Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN, ACETIC ACID, ...
Authors:Jez, J.M, Chen, J.C.-H, Rastelli, G, Stroud, R.M, Santi, D.V.
Deposit date:2003-03-19
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90
Chem.Biol., 10, 2003
1NM2
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BU of 1nm2 by Molmil
Malonyl-CoA:ACP Transacylase
Descriptor: ACETIC ACID, NICKEL (II) ION, malonyl CoA:acyl carrier protein malonyltransferase
Authors:Keatinge-Clay, A.T, Shelat, A.A, Savage, D.F, Tsai, S, Miercke, L.J.W, O'Connell III, J.D, Khosla, C, Stroud, R.M.
Deposit date:2003-01-08
Release date:2003-01-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalysis, Specificity, and ACP Docking Site of Streptomyces coelicolor Malonyl-CoA:ACP Transacylase
Structure, 11, 2003
1QZF
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BU of 1qzf by Molmil
Crystal structure of DHFR-TS from Cryptosporidium hominis
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FOLIC ACID, ...
Authors:O'Neil, R.H, Lilien, R.H, Donald, B.R, Stroud, R.M, Anderson, A.C.
Deposit date:2003-09-16
Release date:2003-11-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase
J.Biol.Chem., 278, 2003
1XUF
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BU of 1xuf by Molmil
TRYPSIN-BABIM-ZN+2, PH 8.2
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-12-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1YMG
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BU of 1ymg by Molmil
The Channel Architecture of Aquaporin O at 2.2 Angstrom Resolution
Descriptor: Lens fiber major intrinsic protein, nonyl beta-D-glucopyranoside
Authors:Harries, W.E.C, Akhavan, D, Miercke, L.J.W, Khademi, S, Stroud, R.M.
Deposit date:2005-01-20
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Channel Architecture of Aquaporin 0 at a 2.2-A Resolution
Proc.Natl.Acad.Sci.USA, 101, 2004
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
1YTG
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BU of 1ytg by Molmil
SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT
Descriptor: HIV PROTEASE, PEPTIDE PRODUCT
Authors:Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M.
Deposit date:1996-08-01
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
1YTJ
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BU of 1ytj by Molmil
SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT
Descriptor: PEPTIDE PRODUCT, SIV PROTEASE
Authors:Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M.
Deposit date:1996-08-01
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
1YTH
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BU of 1yth by Molmil
SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT
Descriptor: HIV PROTEASE, PEPTIDE PRODUCT
Authors:Rose, R.B, Craik, C.S, Douglas, N.L, Stroud, R.M.
Deposit date:1996-08-01
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structures of HIV-1 and SIV protease product complexes.
Biochemistry, 35, 1996
1XUH
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BU of 1xuh by Molmil
TRYPSIN-KETO-BABIM-CO+2, PH 8.2
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUJ
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BU of 1xuj by Molmil
TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XUK
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TRYPSIN-BABIM-SULFATE, PH 5.9
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998

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