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5XOD
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BU of 5xod by Molmil
Crystal structure of human Smad2-Ski complex
Descriptor: Mothers against decapentaplegic homolog 2, Ski oncogene
Authors:Miyazono, K, Moriwaki, S, Ito, T, Tanokura, M.
Deposit date:2017-05-27
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Hydrophobic patches on SMAD2 and SMAD3 determine selective binding to cofactors
Sci Signal, 11, 2018
7CO1
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BU of 7co1 by Molmil
Crystal structure of SMAD2 in complex with wild-type CBP
Descriptor: CREB-binding protein, Mothers against decapentaplegic homolog 2
Authors:Miyazono, K, Wada, H, Ito, T, Tanokura, M.
Deposit date:2020-08-03
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for transcriptional coactivator recognition by SMAD2 in TGF-beta signaling.
Sci.Signal., 13, 2020
7CFA
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BU of 7cfa by Molmil
Crystal structure of the restriction DNA glycosylase R.CcoLI
Descriptor: R.Pab1 family restriction endonuclease
Authors:Miyazono, K, Wang, D, Ito, T, Tanokura, M.
Deposit date:2020-06-25
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.355 Å)
Cite:Crystal structure and DNA cleavage mechanism of the restriction DNA glycosylase R.CcoLI from Campylobacter coli.
Sci Rep, 11, 2021
5ZOK
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BU of 5zok by Molmil
Crystal structure of human SMAD1-MAN1 complex.
Descriptor: Inner nuclear membrane protein Man1, Mothers against decapentaplegic homolog 1
Authors:Miyazono, K, Ito, T, Tanokura, M.
Deposit date:2018-04-13
Release date:2018-10-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for receptor-regulated SMAD recognition by MAN1
Nucleic Acids Res., 46, 2018
5ZB8
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BU of 5zb8 by Molmil
Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus
Descriptor: PfuEndoQ, SAMARIUM (III) ION, ZINC ION
Authors:Miyazono, K, Ito, T, Tanokura, M.
Deposit date:2018-02-10
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus.
Nucleic Acids Res., 46, 2018
5ZOJ
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BU of 5zoj by Molmil
Crystal structure of human SMAD2-MAN1 complex
Descriptor: Inner nuclear membrane protein Man1, Mothers against decapentaplegic homolog 2
Authors:Miyazono, K, Ohno, Y, Ito, T, Tanokura, M.
Deposit date:2018-04-13
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structural basis for receptor-regulated SMAD recognition by MAN1
Nucleic Acids Res., 46, 2018
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
9QZT
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BU of 9qzt by Molmil
Room temperature structure of Glycine max phyA in Pfr/Pr ensemble
Descriptor: PHYCOCYANOBILIN, Phytochrome A-2
Authors:Nagano, S, Hughes, J.
Deposit date:2025-04-24
Release date:2025-06-04
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
Descriptor: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2017-03-22
Release date:2017-05-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
5JRB
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BU of 5jrb by Molmil
Rad52(1-212) K102A/K133A/E202A mutant
Descriptor: DNA repair protein RAD52 homolog
Authors:Saotome, M, Saito, K, Kurumizaka, H, Kagawa, W.
Deposit date:2016-05-06
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Structure of the human DNA-repair protein RAD52 containing surface mutations.
Acta Crystallogr.,Sect.F, 72, 2016
6KG2
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BU of 6kg2 by Molmil
Human MTHFD2 in complex with Compound 18
Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ...
Authors:Suzuki, M, Matsui, Y, Ota, M, Kawai, J.
Deposit date:2019-07-10
Release date:2019-11-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8AJZ
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BU of 8ajz by Molmil
Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
Authors:Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G.
Deposit date:2022-07-29
Release date:2023-08-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
4W4Q
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BU of 4w4q by Molmil
Glucose isomerase structure determined by serial femtosecond crystallography at SACLA
Descriptor: CALCIUM ION, Xylose isomerase
Authors:Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S.
Deposit date:2014-08-15
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
6T39
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BU of 6t39 by Molmil
Crystal structure of rsEGFP2 in its off-state determined by SFX
Descriptor: Green fluorescent protein
Authors:Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2019-10-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
6T3A
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BU of 6t3a by Molmil
Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX
Descriptor: Green fluorescent protein
Authors:Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
Deposit date:2019-10-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
Authors:Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
9L78
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BU of 9l78 by Molmil
Crystal structure of nucleotide-free human kinesin-1 motor domain (G234A mutant)
Descriptor: Kinesin-1 heavy chain
Authors:Makino, T, Miyazono, K, Tanokura, M, Tomishige, M.
Deposit date:2024-12-26
Release date:2025-04-23
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Tension-induced suppression of allosteric conformational changes coordinates kinesin-1 stepping.
J.Cell Biol., 224, 2025
9L6K
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BU of 9l6k by Molmil
Crystal structure of nucleotide-free human kinesin-1 motor domain (G234V mutant)
Descriptor: Kinesin-1 heavy chain
Authors:Makino, T, Miyazono, K, Tanokura, M, Tomishige, M.
Deposit date:2024-12-24
Release date:2025-04-23
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tension-induced suppression of allosteric conformational changes coordinates kinesin-1 stepping.
J.Cell Biol., 224, 2025
9L7E
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BU of 9l7e by Molmil
Crystal structure of human kinesin-1 motor domain (G234A mutant) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-1 heavy chain, MAGNESIUM ION
Authors:Makino, T, Miyazono, K, Tanokura, M, Tomishige, M.
Deposit date:2024-12-26
Release date:2025-04-23
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tension-induced suppression of allosteric conformational changes coordinates kinesin-1 stepping.
J.Cell Biol., 224, 2025
9LR5
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BU of 9lr5 by Molmil
Crystal structure of Bacteroides thetaiotaomicron GH84 O-GlcNAcase D243N mutant
Descriptor: CALCIUM ION, O-GlcNAcase BT_4395
Authors:Ohnuma, T, Takeshita, D.
Deposit date:2025-01-29
Release date:2025-04-23
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:beta 1,6-Selective Enzymatic N-Acetylglucosamination Catalyzed by the Family GH84 N-Acetyl-beta-D-glucosaminidase from Bacteroides thetaiotaomicron and its Glycosyl Acceptor Specificity.
Chem Asian J, 2025

238582

数据于2025-07-09公开中

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