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6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
Descriptor: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2020-01-13
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.21013784 Å)
Cite:Pink-beam serial crystallography.
Nat Commun, 8, 2017
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
Descriptor: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-shot pink beam serial crystallography: Thaumatin
To Be Published
4YE7
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BU of 4ye7 by Molmil
N-terminal domain of Orf22, a Cydia pomonella granulovirus envelope protein
Descriptor: ACETATE ION, ORF22 similar to XcGV ORF19
Authors:Busby, J.N, Metcalf, P.
Deposit date:2015-02-23
Release date:2016-03-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of granulovirus envelope fibres.
To Be Published
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
6MF2
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BU of 6mf2 by Molmil
Improved Model of Human Coagulation Factor VIII
Descriptor: CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-08
Release date:2019-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.609364 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
6MF0
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BU of 6mf0 by Molmil
Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-07
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19999886 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
6MRV
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BU of 6mrv by Molmil
Sialidase26 co-crystallized with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6MNJ
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BU of 6mnj by Molmil
Hadza microbial sialidase Hz136
Descriptor: Hz136
Authors:Rees, S.D, Zaramela, L, Zengler, K, Chang, G.
Deposit date:2018-10-01
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6MRX
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BU of 6mrx by Molmil
Sialidase26 apo
Descriptor: Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6MYV
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BU of 6myv by Molmil
Sialidase26 co-crystallized with DANA-Gc
Descriptor: 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-11-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
5V74
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BU of 5v74 by Molmil
Structure of the intact Haliangium ochraceum microcompartment shell
Descriptor: Ethanolamine utilization protein EutN/carboxysome structural protein Ccml, Microcompartments protein
Authors:Sutter, M, Kerfeld, C.A.
Deposit date:2017-03-17
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.51015472 Å)
Cite:Assembly principles and structure of a 6.5-MDa bacterial microcompartment shell.
Science, 356, 2017
6ZNW
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BU of 6znw by Molmil
Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA.
Descriptor: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ...
Authors:Verschueren, K.H.G, Verstraete, K.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.121 Å)
Cite:Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
6CWU
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BU of 6cwu by Molmil
Protein Tyrosine Phosphatase 1B F135Y mutant
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M.
Deposit date:2018-03-31
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
6CWV
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BU of 6cwv by Molmil
Protein Tyrosine Phosphatase 1B A122S mutant
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M.
Deposit date:2018-03-31
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98002291 Å)
Cite:Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
5TRV
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BU of 5trv by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
Descriptor: DI(HYDROXYETHYL)ETHER, denovo NTF2
Authors:Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
Deposit date:2016-10-27
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8CEM
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BU of 8cem by Molmil
Structure of bovine native C3, re-refinement
Descriptor: Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Andersen, G.R, Fredslund, F.
Deposit date:2023-02-02
Release date:2023-04-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of bovine complement component 3 reveals the basis for thioester function.
J Mol Biol, 361, 2006
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Ortmayer, M, Levy, C.
Deposit date:2022-12-29
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
8P0E
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BU of 8p0e by Molmil
Rubella virus p150 macro domain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200
Authors:Stoll, G.A, Modis, Y.
Deposit date:2023-05-10
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8OT2
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BU of 8ot2 by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ...
Authors:Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published

223532

数据于2024-08-07公开中

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