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8BJ6
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BU of 8bj6 by Molmil
Crystal structure of YopR
分子名称: SPbeta prophage-derived uncharacterized protein YopR
著者Gallego del Sol, F, Marina, A.
登録日2022-11-03
公開日2023-11-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
7R0T
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BU of 7r0t by Molmil
Crystal structure of exonuclease ExnV1
分子名称: CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ...
著者Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J.
登録日2022-02-02
公開日2022-11-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
7R0K
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Crystal structure of Polymerase I from phage G20c
分子名称: DNA polymerase I
著者Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J.
登録日2022-02-02
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
6ZAK
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BU of 6zak by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
分子名称: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2022-01-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
7C3N
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BU of 7c3n by Molmil
Crystal structure of JAK3 in complex with Delgocitinib
分子名称: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3
著者Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
登録日2020-05-13
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
6L4Y
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BU of 6l4y by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, ...
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
6WPC
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Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
分子名称: Cry1A.2
著者Rydel, T.J, Evdokimov, A.
登録日2020-04-27
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
5L9C
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BU of 5l9c by Molmil
Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Nemashkalov, V, Vakhrusheva, A, Tishchenko, S, Gabdulkhakov, A, Kravchenko, O, Gusakov, A, Sinisyn, A.
登録日2016-06-10
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose
to be published
5LA1
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BU of 5la1 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
分子名称: CALCIUM ION, Carbohydrate binding family 6, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ...
著者Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H.
登録日2016-06-13
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
6LC7
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BU of 6lc7 by Molmil
Crystal structure of AmpC Ent385 free form
分子名称: 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
6LD5
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BU of 6ld5 by Molmil
Zika NS5 polymerase domain
分子名称: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-11-15
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
6LH7
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BU of 6lh7 by Molmil
Crystal Structure of Vibrio cholerae Methionine Aminopeptidase with Partially Occupied Metals
分子名称: GLYCEROL, Methionine aminopeptidase, NICKEL (II) ION, ...
著者Pillalamarri, V, Addlagatta, A.
登録日2019-12-06
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.473 Å)
主引用文献Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
Eur.J.Med.Chem., 209, 2020
8BJV
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BU of 8bjv by Molmil
Crystal structure of YopR
分子名称: GLYCEROL, SPbeta prophage-derived uncharacterized protein YopR
著者Gallego del Sol, F, Marina, A.
登録日2022-11-08
公開日2023-11-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
8BPZ
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BU of 8bpz by Molmil
Crystal structure of YopR
分子名称: SPbeta prophage-derived uncharacterized protein YopR
著者Gallego del Sol, F, Marina, A.
登録日2022-11-18
公開日2023-11-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
7VEE
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BU of 7vee by Molmil
The ligand-free structure of GfsA KSQ-AT didomain
分子名称: GLYCEROL, Polyketide synthase
著者Chisuga, T, Miyanaga, A, Nagai, A, Kudo, F, Eguchi, T.
登録日2021-09-08
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insight into the Reaction Mechanism of Ketosynthase-Like Decarboxylase in a Loading Module of Modular Polyketide Synthases.
Acs Chem.Biol., 17, 2022
7VEF
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BU of 7vef by Molmil
The structure of GfsA KSQ-AT didomain in complex with a malonate substrate analog
分子名称: GLYCEROL, N-(2-acetamidoethyl)-2-nitro-ethanamide, Polyketide synthase
著者Chisuga, T, Miyanaga, A, Nagai, A, Kudo, F, Eguchi, T.
登録日2021-09-08
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Insight into the Reaction Mechanism of Ketosynthase-Like Decarboxylase in a Loading Module of Modular Polyketide Synthases.
Acs Chem.Biol., 17, 2022
6L4X
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BU of 6l4x by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: Asparaginyl endopeptidase
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
6U3Q
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BU of 6u3q by Molmil
The atomic structure of a human adeno-associated virus capsid isolate (AAVhu69/AAVv66)
分子名称: Capsid protein VP1
著者Hsu, H.-L, Brown, A, Loveland, A, Tai, P, Korostelev, A, Gao, G.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural characterization of a novel human adeno-associated virus capsid with neurotropic properties.
Nat Commun, 11, 2020
8BUX
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BU of 8bux by Molmil
Rab-binding domain of human MiniBAR
分子名称: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, MAGNESIUM ION, ...
著者Pylypenko, O, Hammich, H, Houdusse, A.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
8BUY
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BU of 8buy by Molmil
Rac-binding domain of human MiniBAR
分子名称: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, SULFATE ION
著者Pylypenko, O, Hammich, H, Houdusse, A.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
2YKJ
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BU of 2ykj by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-27
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
6LD4
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BU of 6ld4 by Molmil
Zika NS5 polymerase domain
分子名称: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, 3-methoxybenzenesulfonamide, RNA-directed RNA polymerase NS5, ...
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
5LA2
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BU of 5la2 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
分子名称: CALCIUM ION, Carbohydrate binding family 6, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-[alpha-L-arabinofuranose-(1-3)]alpha-D-xylopyranose, ...
著者Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H.
登録日2016-06-13
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
5E79
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BU of 5e79 by Molmil
Macromolecular diffractive imaging using imperfect crystals
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
登録日2015-10-12
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016

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