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6EP5
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BU of 6ep5 by Molmil
Enterococcus faecalis FIC protein in complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-10-10
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
7ONC
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BU of 7onc by Molmil
Crystal structure of the computationally designed SAKe6BE protein
Descriptor: SAKe6BE
Authors:Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S.
Deposit date:2021-05-25
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
5TDO
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BU of 5tdo by Molmil
Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
Descriptor: GLYCEROL, anti-HER2 Fab Heavy Chain, anti-HER2 Fab Light Chain
Authors:Yin, Y, Carter, P.J.
Deposit date:2016-09-19
Release date:2016-12-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
To Be Published
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7ONH
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BU of 7onh by Molmil
Crystal structure of the computationally designed SAKe6BE-L3 protein
Descriptor: SAKe6BE-L3, SULFATE ION
Authors:Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S.
Deposit date:2021-05-25
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-08-05
Release date:2023-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
7OL2
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BU of 7ol2 by Molmil
Crystal structure of mouse contactin 1 immunoglobulin domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, ...
Authors:Chataigner, L.M.P, Janssen, B.J.C.
Deposit date:2021-05-19
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
8PGB
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BU of 8pgb by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2850
Descriptor: 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2850
To Be Published
5TE0
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BU of 5te0 by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
Descriptor: AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-09-20
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
To Be Published
7ON6
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BU of 7on6 by Molmil
Crystal structure of the computationally designed SAKe6AE protein
Descriptor: SAKe6AE, SULFATE ION
Authors:Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S.
Deposit date:2021-05-25
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
6EK9
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BU of 6ek9 by Molmil
Cytosolic copper storage protein Csp from Streptomyces lividans: Cu loaded form
Descriptor: COPPER (I) ION, Cytosolic copper storage protein
Authors:Straw, M.L, Chaplin, A.K, Hough, M.A, Worrall, J.A.R.
Deposit date:2017-09-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A cytosolic copper storage protein provides a second level of copper tolerance in Streptomyces lividans.
Metallomics, 10, 2018
8PGU
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BU of 8pgu by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3394
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3394
To Be Published
5EGL
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BU of 5egl by Molmil
The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus in complex with Butyryl Coenzyme A, Coenzyme A, and Coenzyme A disulfide
Descriptor: Acyl CoA Hydrolase, Butyryl Coenzyme A, COENZYME A, ...
Authors:Khandokar, Y.B, Srivastava, P.S, Forwood, J.K.
Deposit date:2015-10-27
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus
To Be Published
8PNO
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BU of 8pno by Molmil
The MgF3(H2O) transition state analog complex of E. coli YihX
Descriptor: 1,2-ETHANEDIOL, Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, ...
Authors:Baumann, P, Zappala, D, Jin, Y.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MgF3(H2O)- transition state analog complex of E. coli YihX
To Be Published
5TEE
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BU of 5tee by Molmil
Crystal structure of Gemin5 WD40 repeats in apo form
Descriptor: GLYCEROL, Gem-associated protein 5, SODIUM ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Walker, J.R, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-21
Release date:2016-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
7YSZ
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BU of 7ysz by Molmil
Spiroplasma melliferum FtsZ bound to GDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Chakraborty, J, Pananghat, G.
Deposit date:2022-08-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3000412 Å)
Cite:Structural basis of kinetic polarity of FtsZ from a cell wall less bacterium Spiroplasma
To Be Published
7OPV
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BU of 7opv by Molmil
Crystal structure of the computationally designed SAKe6BE-3HH protein, alternative packing
Descriptor: SAKe6BE-3HH
Authors:Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S.
Deposit date:2021-06-01
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
7YOP
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BU of 7yop by Molmil
Spiroplasma melliferum FtsZ bound to GMPPNP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chakraborty, J, Pananghat, G.
Deposit date:2022-08-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.20003128 Å)
Cite:Structural basis of kinetic polarity of FtsZ from a cell wall-less bacterium Spiroplasma
To Be Published
7OP4
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BU of 7op4 by Molmil
Crystal structure of the computationally designed SAKe6BE-3HH protein
Descriptor: SAKe6BE-3HH
Authors:Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S.
Deposit date:2021-05-29
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
8PGX
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BU of 8pgx by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3461
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3461
To Be Published
6XTM
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BU of 6xtm by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S:O2 complex
Descriptor: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
7OWP
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BU of 7owp by Molmil
HsNMT1 in complex with both MyrCoA and ACE-G-(L-ORN)SFSKPR
Descriptor: ACE-GLY-ORN-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Dian, C, Giglione, C, Meinnel, T.
Deposit date:2021-06-18
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
Descriptor: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA triplex structure with bound ruthenium polypyridyl complexes
To Be Published
5ERD
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BU of 5erd by Molmil
Crystal structure of human Desmoglein-2 ectodomain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brasch, J, Harrison, O.J, Shapiro, L.
Deposit date:2015-11-13
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of adhesive binding by desmocollins and desmogleins.
Proc.Natl.Acad.Sci.USA, 113, 2016
7OVU
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BU of 7ovu by Molmil
Crystal structure of Arabidopsis thaliana NAT9 in complex with AcCoA
Descriptor: ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein
Authors:Layer, D, Weyer, F.A, Kopp, J, Sinning, I.
Deposit date:2021-06-15
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the Arabidopsis thaliana N-acetyltransferase 9
To Be Published

224201

数据于2024-08-28公开中

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