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6QKJ
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BU of 6qkj by Molmil
EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine
Descriptor: CHLORIDE ION, FE (III) ION, IMIDAZOLE, ...
Authors:Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
Deposit date:2019-01-29
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
6QX6
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BU of 6qx6 by Molmil
Structure of gtPebB-dihydrobiliverdin complex
Descriptor: 15,16-DIHYDROBILIVERDIN, Ferredoxin bilin reductase plastid, PENTAETHYLENE GLYCOL, ...
Authors:Sommerkamp, J.A, Hofmann, E.
Deposit date:2019-03-07
Release date:2019-08-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
4IFQ
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BU of 4ifq by Molmil
Crystal structure of Saccharomyces cerevisiae NUP192, residues 2 to 960 [ScNup192(2-960)]
Descriptor: IODIDE ION, Nucleoporin NUP192, SULFATE ION
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
Deposit date:2012-12-14
Release date:2013-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure, dynamics, evolution, and function of a major scaffold component in the nuclear pore complex.
Structure, 21, 2013
6B76
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BU of 6b76 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LVR596
Descriptor: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
4IPC
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BU of 4ipc by Molmil
Structure of the N-terminal domain of RPA70, E7R mutant
Descriptor: Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPD
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BU of 4ipd by Molmil
Structure of the N-terminal domain of RPA70, E100R mutant
Descriptor: Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPG
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BU of 4ipg by Molmil
Structure of the N-terminal domain of RPA70, E7R, E100R mutant
Descriptor: Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPH
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BU of 4iph by Molmil
Structure of N-terminal domain of RPA70 in complex with VU079104 inhibitor
Descriptor: Replication protein A 70 kDa DNA-binding subunit, ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
Authors:Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
Deposit date:2013-01-09
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4JJM
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BU of 4jjm by Molmil
Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A
Descriptor: Peptidyl-prolyl cis-trans isomerase, cyclosporin A
Authors:Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E.
Deposit date:2013-03-08
Release date:2013-06-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins.
Plant Physiol., 162, 2013
4JOS
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BU of 4jos by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ...
Authors:Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-18
Release date:2013-04-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
4KO7
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BU of 4ko7 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
To be Published
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
4IPY
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BU of 4ipy by Molmil
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
4JP3
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BU of 4jp3 by Molmil
Crystal Structure of TT0495 protein from Thermus thermophilus HB8
Descriptor: 2-deoxy-D-gluconate 3-dehydrogenase, CITRIC ACID
Authors:Pampa, K.J, Lokanath, N.K, Kunishima, N, Ravishnkar Rai, V.
Deposit date:2013-03-19
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 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
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
4J2H
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BU of 4j2h by Molmil
Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-04
Release date:2013-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
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
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
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
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
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
Descriptor: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
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

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数据于2024-10-02公开中

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