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4IPY
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HIV capsid C-terminal domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein p24
Authors:Lampel, A, Yaniv, O, Berger, O, Bachrach, E, Gazit, E, Frolow, F.
Deposit date:2013-01-10
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A triclinic crystal structure of the carboxy-terminal domain of HIV-1 capsid protein with four molecules in the asymmetric unit reveals a novel packing interface.
Acta Crystallogr.,Sect.F, 69, 2013
2WPB
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BU of 2wpb by Molmil
Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I
Descriptor: (2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE, N-ACETYLNEURAMINATE LYASE
Authors:Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A.
Deposit date:2009-08-03
Release date:2010-08-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
4JP2
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BU of 4jp2 by Molmil
Crystal Structure of TT0495 protein from Thermus thermophilus HB8
Descriptor: 2-deoxy-D-gluconate 3-dehydrogenase
Authors:Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V.
Deposit date:2013-03-19
Release date:2014-03-19
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 70, 2014
6WE6
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BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-01
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
5JIZ
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BU of 5jiz by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Campbell, J.C, Kim, C.W.
Deposit date:2016-04-22
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
To Be Published
4LDN
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BU of 4ldn by Molmil
Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-06-24
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
to be published
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3JTY
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BU of 3jty by Molmil
Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5
Descriptor: BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-14
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
1Z7N
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BU of 1z7n by Molmil
ATP Phosphoribosyl transferase (HisZG ATP-PRTase) from Lactococcus lactis with bound PRPP substrate
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Champagne, K.S, Sissler, M, Larrabee, Y, Doublie, S, Francklyn, C.S.
Deposit date:2005-03-25
Release date:2005-08-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog.
J.Biol.Chem., 280, 2005
2WNN
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BU of 2wnn by Molmil
Structure of wild type E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21
Descriptor: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, SODIUM ION
Authors:Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A.
Deposit date:2009-07-13
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
3K0H
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BU of 3k0h by Molmil
The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-24
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
3K15
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BU of 3k15 by Molmil
Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-25
Release date:2010-03-02
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
3K0K
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BU of 3k0k by Molmil
Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus.
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-24
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
2C06
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BU of 2c06 by Molmil
NMR-based model of the complex of the toxin Kid and a 5-nucleotide substrate RNA fragment (AUACA)
Descriptor: 5'-R(*AP*UP*AP*CP*AP)-3', KID TOXIN PROTEIN
Authors:Kamphuis, M.B, Bonvin, A.M.J.J, Monti, M.C, Lemonnier, M, Munoz-Gomez, A, Van Den Heuvel, R.H.H, Diaz-Orejas, R, Boelens, R.
Deposit date:2005-08-25
Release date:2006-02-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Model for RNA Binding and the Catalytic Site of the Rnase Kid of the Bacterial Pard Toxin-Antitoxin System.
J.Mol.Biol., 357, 2006
4KO5
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BU of 4ko5 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Wang, Y, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
To be Published
3K05
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BU of 3k05 by Molmil
The crystal structure of MDC1 BRCT T2067D in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Descriptor: GLYCEROL, Mediator of DNA damage checkpoint protein 1, phospho peptide
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-24
Release date:2010-03-02
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
4L0M
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BU of 4l0m by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
Descriptor: ADENINE, putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-31
Release date:2013-08-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
to be published
3KFO
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BU of 3kfo by Molmil
Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae
Descriptor: GLYCEROL, Nucleoporin NUP133
Authors:Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-27
Release date:2010-01-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex.
Proteins, 79, 2011
5JIX
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BU of 5jix by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Campbell, J.C, Kim, C.W.
Deposit date:2016-04-22
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
2XFW
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BU of 2xfw by Molmil
Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in crystal form III
Descriptor: N-ACETYLNEURAMINIC ACID LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID
Authors:Campeotto, I, Murshudov, G.N, Bolt, A.H, Trinh, C.H, Phillips, S.E.V, Nelson, A, Pearson, A.R, Berry, A.
Deposit date:2010-05-28
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
To be Published
2AF6
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BU of 2af6 by Molmil
Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP)
Descriptor: 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Sampathkumar, P, Turley, S, Ulmer, J.E, Rhie, H.G, Sibley, C.H, Hol, W.G.
Deposit date:2005-07-25
Release date:2005-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of the Mycobacterium tuberculosis Flavin Dependent Thymidylate Synthase (MtbThyX) at 2.0A Resolution.
J.Mol.Biol., 352, 2005
1HY0
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BU of 1hy0 by Molmil
CRYSTAL STRUCTURE OF WILD TYPE DUCK DELTA 1 CRYSTALLIN (EYE LENS PROTEIN)
Descriptor: DELTA CRYSTALLIN I, SULFATE ION
Authors:Sampaleanu, L.M, Vallee, F, Slingsby, C, Howell, P.L.
Deposit date:2001-01-17
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of duck delta 1 and delta 2 crystallin suggest conformational changes occur during catalysis.
Biochemistry, 40, 2001
4J8R
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BU of 4j8r by Molmil
Structure of an octapeptide repeat of the prion protein bound to the POM2 Fab antibody fragment
Descriptor: Heavy chain of POM2 Fab, Light chain of POM2 Fab, Major prion protein
Authors:Swayampakula, M, Baral, P.K, Kav, N.N.V, Aguzzi, A, James, M.N.G.
Deposit date:2013-02-14
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:The crystal structure of an octapeptide repeat of the Prion protein in complex with a Fab fragment of the POM2 antibody.
Protein Sci., 22, 2013

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