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3RFN
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BU of 3rfn by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
Descriptor: BB_1wnu_001, ZINC ION
Authors:Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
Deposit date:2011-04-06
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
3SZE
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BU of 3sze by Molmil
Crystal structure of the passenger domain of the E. coli autotransporter EspP
Descriptor: Serine protease espP
Authors:Khan, S, Mian, H.S, Sandercock, L.E, Battaile, K.P, Lam, R, Chirgadze, N.Y, Pai, E.F.
Deposit date:2011-07-18
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP.
J.Mol.Biol., 413, 2011
3R3Z
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BU of 3r3z by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3Y
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BU of 3r3y by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3SW6
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BU of 3sw6 by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-azido-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-07-13
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-azido-UMP
To be Published
3THQ
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BU of 3thq by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-08-19
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
To be Published
3R3W
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BU of 3r3w by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
121P
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BU of 121p by Molmil
STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Krengel, U, Scheffzek, K, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C-Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras
Thesis, 1991
1AVT
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BU of 1avt by Molmil
SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-19
Release date:1998-03-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1AV7
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BU of 1av7 by Molmil
SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-29
Release date:1998-04-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1DV7
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BU of 1dv7 by Molmil
CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Mo, Y, Gao, J, Pai, E.F.
Deposit date:2000-01-20
Release date:2000-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DVJ
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BU of 1dvj by Molmil
CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE COMPLEXED WITH 6-AZAUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Mo, Y, Gao, J, Pai, E.F.
Deposit date:2000-03-30
Release date:2000-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EP0
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BU of 1ep0 by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE
Authors:Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-24
Release date:2000-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
1EPZ
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BU of 1epz by Molmil
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND.
Descriptor: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE
Authors:Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M.
Deposit date:2000-03-30
Release date:2000-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
1EJ2
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BU of 1ej2 by Molmil
Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+
Descriptor: NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F, Midwest Center for Structural Genomics (MCSG), Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-02-29
Release date:2001-03-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes.
J.Biol.Chem., 276, 2001
1KM2
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BU of 1km2 by Molmil
crystal structure of orotidine monophosphate mutant Q185A with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM0
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BU of 1km0 by Molmil
Crystal structure of orotidine monophosphate decarboxylase mutant D70N complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM1
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BU of 1km1 by Molmil
Orotidine monophosphate decarboxylase mutant S127A crystal structure
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KLZ
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BU of 1klz by Molmil
Crystal structure of orotidine monophosphate decarboxylase mutant D70A complexed with UMP
Descriptor: CHLORIDE ION, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM6
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BU of 1km6 by Molmil
Crystal structure of ODCase mutant D70AK72A complexed with OMP
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, OROTIDINE-5'-MONOPHOSPHATE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM3
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BU of 1km3 by Molmil
crystal structure of ODCase mutant K42A complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1LOS
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BU of 1los by Molmil
crystal structure of orotidine monophosphate decarboxylase mutant deltaR203A complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, orotidine monophosphate decarboxylase
Authors:Wu, N, Pai, E.F.
Deposit date:2002-05-06
Release date:2002-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002
1LOQ
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BU of 1loq by Molmil
Crystal structure of orotidine monophosphate decarboxylase complexed with product UMP
Descriptor: URIDINE-5'-MONOPHOSPHATE, orotidine 5'-monophosphate decarboxylase
Authors:Wu, N, Pai, E.F.
Deposit date:2002-05-06
Release date:2002-08-07
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002
1LP6
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BU of 1lp6 by Molmil
Crystal structure of orotidine monophosphate decarboxylase complexed with CMP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, orotidine monophosphate decarboxylase
Authors:Wu, N, Pai, E.F.
Deposit date:2002-05-07
Release date:2002-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002
1LOL
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BU of 1lol by Molmil
Crystal structure of orotidine monophosphate decarboxylase complex with XMP
Descriptor: 1,3-BUTANEDIOL, XANTHOSINE-5'-MONOPHOSPHATE, orotidine 5'-monophosphate decarboxylase
Authors:Wu, N, Pai, E.F.
Deposit date:2002-05-06
Release date:2002-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of inhibitor complexes reveal an alternate binding mode in orotidine-5'-monophosphate decarboxylase.
J.Biol.Chem., 277, 2002

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