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7KBU
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BU of 7kbu by Molmil
Structure of Hevin FS-EC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Machius, M, Fan, S, Rudenko, G.
Deposit date:2020-10-03
Release date:2021-02-10
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges.
Structure, 29, 2021
7TS5
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BU of 7ts5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7PFY
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BU of 7pfy by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241
Descriptor: Inhibitor MI-2241, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
5LM7
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BU of 5lm7 by Molmil
Crystal structure of the lambda N-Nus factor complex
Descriptor: 30S ribosomal protein S10, Antitermination protein N, N utilization substance protein B homolog, ...
Authors:Said, N, Santos, K, Weber, G, Wahl, M.C.
Deposit date:2016-07-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017
7PEK
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BU of 7pek by Molmil
Crystal structure of Triosephosphate Isomerase C216A mutant from Schizosaccharomyces pombe (SpTIM C216A)
Descriptor: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
Authors:Romero-Romero, S, Garza-Ramos, G.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM C216A)
To Be Published
2XZZ
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BU of 2xzz by Molmil
Crystal structure of the human transglutaminase 1 beta-barrel domain
Descriptor: PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE K
Authors:Vollmar, M, Krysztofinska, E, Krojer, T, Yue, W.W, Cooper, C, Kavanagh, K, Allerston, C, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-11-30
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Human Transglutaminase 1 Beta-Barrel Domain
To be Published
6ZMR
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BU of 6zmr by Molmil
Porcine ATP synthase Fo domain
Descriptor: ATP synthase F(0) complex subunit C1, mitochondrial, ATP synthase g subunit, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-07-03
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
7PXV
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BU of 7pxv by Molmil
LsAA9_A chemically reduced with ascorbic acid (high X-ray dose)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
2Y0C
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BU of 2y0c by Molmil
BceC mutation Y10S
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C.
Deposit date:2010-12-02
Release date:2011-07-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
J.Bacteriol., 193, 2011
2NV5
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BU of 2nv5 by Molmil
Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD)
Descriptor: PTPRD, PHOSPHATASE
Authors:Bonanno, J.B, Gilmore, J, Bain, K.T, Iizuka, M, Xu, W, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-11-10
Release date:2006-11-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7FV1
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BU of 7fv1 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z4912742920
Descriptor: PH-interacting protein, tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:PanDDA analysis group deposition
To Be Published
7TSH
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BU of 7tsh by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7AAU
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BU of 7aau by Molmil
Crystal structure of nitrosoglutathione reductase from Chlamydomonas reinhardtii in complex with NAD+
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
Deposit date:2020-09-04
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
7JZV
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BU of 7jzv by Molmil
Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome
Descriptor: BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ...
Authors:Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1.
Nat.Struct.Mol.Biol., 28, 2021
7PEF
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BU of 7pef by Molmil
Crystal structure of IpgC in complex with DMSO
Descriptor: CHLORIDE ION, Chaperone protein IpgC, DIMETHYL SULFOXIDE, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of IpgC in complex with DMSO
To be published
8PJ4
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BU of 8pj4 by Molmil
Structure of human 48S translation initiation complex after eIF5 release (48S-4)
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N.
Deposit date:2023-06-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining
Nat.Struct.Mol.Biol., 2024
7FVG
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BU of 7fvg by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z992453336
Descriptor: N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
3I10
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BU of 3i10 by Molmil
Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-25
Release date:2009-07-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution
To be Published
7FVL
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BU of 7fvl by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z4140355932
Descriptor: N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
2ZGB
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BU of 2zgb by Molmil
Thrombin Inhibition
Descriptor: D-leucyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-21
Release date:2008-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
7TS3
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BU of 7ts3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
2JBW
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BU of 2jbw by Molmil
Crystal Structure of the 2,6-dihydroxy-pseudo-oxynicotine Hydrolase.
Descriptor: 2,6-DIHYDROXY-PSEUDO-OXYNICOTINE HYDROLASE, SODIUM ION
Authors:Schleberger, C, Sachelaru, P, Brandsch, R, Schulz, G.E.
Deposit date:2006-12-14
Release date:2007-01-04
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Action of a Cc Bond Cleaving Alpha/Beta-Hydrolase Involved in Nicotine Degration.
J.Mol.Biol., 367, 2007
7FV2
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BU of 7fv2 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z445899798
Descriptor: N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
2K0M
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BU of 2k0m by Molmil
Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43
Descriptor: Uncharacterized protein
Authors:Rossi, P, Wang, H, Jiang, M, Foote, E.L, Xiao, R, Liu, J, Swapna, G, Acton, T.B, Baran, M.C, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43.
To be Published
7FVI
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BU of 7fvi by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z183306756
Descriptor: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:PanDDA analysis group deposition
To Be Published

224004

数据于2024-08-21公开中

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