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6AI4
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BU of 6ai4 by Molmil
Structure of Transferase mutant-C21S,C199S
分子名称: Non-LEE encoded effector protein NleB
著者Park, J.B, Yoo, Y, Kim, J.
登録日2018-08-21
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Transferase mutant-C21S,C199S
To Be Published
5AO7
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BU of 5ao7 by Molmil
Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dominguez-Gil, T, Hermoso, J.A.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa.
Acs Chem.Biol., 11, 2016
7MY1
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BU of 7my1 by Molmil
Sy-CrtE structure with IPP, N-term His-tag
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ...
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
6A16
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BU of 6a16 by Molmil
Crystal structure of CYP90B1 in complex with uniconazole
分子名称: (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
6OHM
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BU of 6ohm by Molmil
Structure of tungstate bound human Phospholipase D2 catalytic domain
分子名称: GLYCEROL, Phospholipase D2, SULFATE ION, ...
著者Metrick, C.M, Chodaparambil, J.V.
登録日2019-04-06
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
5AOH
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BU of 5aoh by Molmil
Crystal Structure of CarF
分子名称: POTASSIUM ION, Spore coat protein CotH
著者Tichy, E.M, Hardwick, S.W, Luisi, B.F, C Salmond, G.P.
登録日2015-09-10
公開日2017-01-25
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 angstrom resolution crystal structure of the carbapenem intrinsic resistance protein CarF.
Acta Crystallogr D Struct Biol, 73, 2017
7MXZ
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BU of 7mxz by Molmil
Sy-CrtE apo structure
分子名称: CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
6U8I
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BU of 6u8i by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.2_2
分子名称: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-09-05
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
7TE0
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BU of 7te0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Liu, W.R.
登録日2022-01-03
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir.
J.Med.Chem., 65, 2022
8COX
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BU of 8cox by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(2-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
分子名称: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kirkman, T.J, Dias, M.V.B, Coyne, A.G.
登録日2023-03-01
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Currently unpublished
To Be Published
8P9M
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BU of 8p9m by Molmil
Hexameric Hfq from Chromobacterium haemolyticum
分子名称: GLYCEROL, RNA-binding protein Hfq
著者Nikulin, A.D, Lekontseva, N.V.
登録日2023-06-06
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of the Hfq Protein from Chromobacterium haemolyticum Revealed a New Variant of Regulation of RNA Binding with the Protein
Crystallography Reports, 68, 2023
7MY7
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BU of 7my7 by Molmil
Se-CrtE N-term His-tag structure
分子名称: Farnesyl-diphosphate synthase
著者Peat, T.S, Newman, J.
登録日2021-05-20
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MYL
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BU of 7myl by Molmil
Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM
分子名称: Dihydrofolate reductase, TRIMETHOPRIM
著者Erlandsen, H, Wright, D.
登録日2021-05-21
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
8C6N
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BU of 8c6n by Molmil
Human protein kinase CK2 alpha in complex with CK2-TN03
分子名称: (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
8OYZ
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BU of 8oyz by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
分子名称: 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
To Be Published
5B2T
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BU of 5b2t by Molmil
Crystal structure of the Streptococcus pyogenes Cas9 VRER variant in complex with sgRNA and target DNA (TGCG PAM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CRISPR-associated endonuclease Cas9, ...
著者Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2016-02-02
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Altered PAM Specificities of Engineered CRISPR-Cas9
Mol.Cell, 61, 2016
8COW
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BU of 8cow by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine
分子名称: 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Kirkman, T.J, Dias, M.V.B, Coyne, A.G.
登録日2023-03-01
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Currently unpublished
To Be Published
7T36
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BU of 7t36 by Molmil
Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322
分子名称: (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine, 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2021-12-07
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322
To Be Published
8OZ9
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BU of 8oz9 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
分子名称: 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-08
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
To Be Published
7VR6
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BU of 7vr6 by Molmil
Crystal structure of MlaC from Escherichia coli in quasi-open state
分子名称: 1,2-ETHANEDIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Intermembrane phospholipid transport system binding protein MlaC
著者Dutta, A, Kanaujia, S.P.
登録日2021-10-21
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献MlaC belongs to a unique class of non-canonical substrate-binding proteins and follows a novel phospholipid-binding mechanism.
J.Struct.Biol., 214, 2022
8C6M
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BU of 8c6m by Molmil
Human protein kinase CK2 alpha in complex with CK2-TN02
分子名称: (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
6UNW
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BU of 6unw by Molmil
Epoxide hydrolase from an endophytic Streptomyces
分子名称: CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase
著者Wilson, C, dos Santos, J.C, Dias, M.V.B.
登録日2019-10-13
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity.
Acta Crystallogr D Struct Biol, 76, 2020
8CPQ
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BU of 8cpq by Molmil
Crystal structure of human protein disulfide isomerase PDIA6 domain b
分子名称: Protein disulfide-isomerase A6
著者Jakob, R.P, Leder, A.L, Hiller, S, Maier, T.
登録日2023-03-03
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human protein disulfide isomerase PDIA6 domain b
To Be Published
6A35
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BU of 6a35 by Molmil
Crystal structure of 5-methylthioribose 1-phosphate isomerase from Pyrococcus horikoshii OT3 - Form II
分子名称: Putative methylthioribose-1-phosphate isomerase
著者Kanaujia, S.P, Gogoi, P, Mordina, P.
登録日2018-06-14
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights into the catalytic mechanism of 5-methylthioribose 1-phosphate isomerase.
J. Struct. Biol., 205, 2019
6OJA
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BU of 6oja by Molmil
Crystal structure of the N. meningitides methionine-binding protein in its L-methionine bound conformation
分子名称: Lipoprotein, METHIONINE
著者Nguyen, P.T, Lai, J.Y, Kaiser, J.T, Rees, D.C.
登録日2019-04-11
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of the Neisseria meningitides methionine-binding protein MetQ in substrate-free form and bound to l- and d-methionine isomers.
Protein Sci., 28, 2019

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