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7NU9
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BU of 7nu9 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7NU5
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BU of 7nu5 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with L-leucine
Descriptor: LEUCINE, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
7NU6
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BU of 7nu6 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP in Conformation 1
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
8PQ0
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BU of 8pq0 by Molmil
Structure of human PARK7 in complex with GK16R
Descriptor: (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7
Authors:Grethe, C, Gersch, M.
Deposit date:2023-07-10
Release date:2024-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
6UY3
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BU of 6uy3 by Molmil
Structure of anti-hCD33 conditional scFv with methotrexate
Descriptor: Anti-CD33 conditional scFv, GLYCEROL, METHOTREXATE, ...
Authors:Kimberlin, C.R, Park, S.
Deposit date:2019-11-11
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct control of CAR T cells through small molecule-regulated antibodies.
Nat Commun, 12, 2021
7NU4
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BU of 7nu4 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NU8
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BU of 7nu8 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction Intermediate Leu-AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NUC
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BU of 7nuc by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NU7
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BU of 7nu7 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP in Conformation 2
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NTZ
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BU of 7ntz by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant in Complex with the Reaction Intermediate Leu-AMP
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
6LO2
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BU of 6lo2 by Molmil
Crystal structure of EED in complex with EZH2 peptide and compound 11#
Descriptor: 8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Chen, Z.
Deposit date:2020-01-02
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of EED in complex with EZH2 peptide and cmpd20
To Be Published
7NU3
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BU of 7nu3 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
6UXL
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BU of 6uxl by Molmil
Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Forrest complexed with PLP-Glycine
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase
Authors:Korasick, D.A, Tanner, J.J, Beamer, L.J.
Deposit date:2019-11-07
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
6ART
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BU of 6art by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions
Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-23
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
7NUA
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BU of 7nua by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
8DGN
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BU of 8dgn by Molmil
14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide
Descriptor: 14-3-3 protein epsilon, Phosphorylated PEAK2 (pS826) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
7NUB
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BU of 7nub by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant in Complex with the Reaction Intermediate Leu-AMP
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NR1
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BU of 7nr1 by Molmil
Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Descriptor: HpcH/HpaI aldolase, MAGNESIUM ION
Authors:Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-03-02
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7NSN
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BU of 7nsn by Molmil
Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M.
Deposit date:2021-03-08
Release date:2022-09-21
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and functional characterization of a multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis.
Acta Crystallogr D Struct Biol, 79, 2023
6AT9
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BU of 6at9 by Molmil
Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101
Descriptor: ALK, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G.
Deposit date:2017-08-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9503 Å)
Cite:A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
6P78
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BU of 6p78 by Molmil
queuine lyase from Clostridium spiroforme bound to SAM and queuine
Descriptor: 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, IRON/SULFUR CLUSTER, Queuine lyase, ...
Authors:Almo, S.C, Grove, T.L.
Deposit date:2019-06-05
Release date:2019-09-18
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
5C66
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BU of 5c66 by Molmil
E. Coli Alkaline Phosphatase in complex with tungstate
Descriptor: Alkaline phosphatase, TUNGSTATE(VI)ION, ZINC ION
Authors:Peck, A, Herschlag, D.
Deposit date:2015-06-22
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase.
J.Mol.Biol., 428, 2016

224004

数据于2024-08-21公开中

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