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4QLS
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yCP in complex with tripeptidic epoxyketone inhibitor 11
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
著者De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
登録日2014-06-13
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
6I21
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BU of 6i21 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
分子名称: 1,2-ETHANEDIOL, Aureochrome1-like protein, CHLORIDE ION, ...
著者Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
登録日2018-10-31
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
5GM2
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Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
分子名称: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
4XLZ
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BU of 4xlz by Molmil
N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CHLORIDE ION, ...
著者Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K.
登録日2015-01-14
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
5BZA
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BU of 5bza by Molmil
Crystal structure of CbsA from Thermotoga neapolitana
分子名称: Beta-N-acetylhexosaminidase, CADMIUM ION
著者Ha, N.C, Kim, J.S, Yoon, B.Y.
登録日2015-06-11
公開日2015-09-16
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of beta-N-acetylglucosaminidase CbsA from Thermotoga neapolitana
Biochem.Biophys.Res.Commun., 464, 2015
5GTH
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BU of 5gth by Molmil
Native XFEL structure of photosystem II (dark dataset)
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Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5GAH
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BU of 5gah by Molmil
RNC in complex with SRP with detached NG domain
分子名称: 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ...
著者Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N.
登録日2015-11-26
公開日2016-01-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon.
Nat Commun, 7, 2016
6I7S
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BU of 6i7s by Molmil
Microsomal triglyceride transfer protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Biterova, E, Isupov, M.N, Keegan, R.M, Lebedev, A.A, Ruddock, L.W.
登録日2018-11-17
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of human microsomal triglyceride transfer protein.
Proc.Natl.Acad.Sci.USA, 116, 2019
6I40
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Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber
分子名称: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B.
登録日2018-11-08
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MT3
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BU of 5mt3 by Molmil
Human insulin in complex with serotonin and arginine
分子名称: ARGININE, CHLORIDE ION, Insulin, ...
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2017-01-06
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
5MT9
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BU of 5mt9 by Molmil
Human insulin in complex with serotonin and arginine
分子名称: ARGININE, CHLORIDE ION, Insulin, ...
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2017-01-07
公開日2017-04-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
6I9G
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BU of 6i9g by Molmil
Crystal structure of encapsulin from Mycolicibacterium hassiacum
分子名称: GLYCEROL, Linocin-M18, SULFATE ION
著者Rozeboom, H.J, Fraaije, M.W.
登録日2018-11-23
公開日2019-12-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a robust bacterial protein cage and its application as a versatile biocatalytic platform through enzyme encapsulation.
Biochem.Biophys.Res.Commun., 529, 2020
5MU0
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BU of 5mu0 by Molmil
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03)
分子名称: IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment
著者Dobritzsch, D, Holmdahl, R, Ge, C.
登録日2017-01-11
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
4QW3
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BU of 4qw3 by Molmil
yCP beta5-C63F mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-16
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
6IAO
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BU of 6iao by Molmil
Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
著者Mirza, O, Rafiq, M, Frydenvang, K.
登録日2018-11-27
公開日2019-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
6RUR
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BU of 6rur by Molmil
Structure of the SCIN stabilized C3bBb convertase bound to properdin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
著者Pedersen, D.V, Gadeberg, T.A.F, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
5H2F
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BU of 5h2f by Molmil
Crystal structure of the PsbM-deletion mutant of photosystem II
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N.
登録日2016-10-15
公開日2017-03-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II.
Faraday Discuss., 198, 2017
4XBF
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BU of 4xbf by Molmil
Structure of LSD1:CoREST in complex with ssRNA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Luka, Z, Loukachevitch, L.V, Martin, W.J, Wagner, C, Reiter, N.J.
登録日2014-12-16
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献G-quadruplex RNA binding and recognition by the lysine-specific histone demethylase-1 enzyme.
RNA, 22, 2016
6BHE
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BU of 6bhe by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
6BJ8
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TCR55 in complex with Pep20/HLA-B35
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Jude, K.M, Sibener, L.V, Yang, X, Garcia, K.C.
登録日2017-11-05
公開日2018-07-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
4QZ3
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yCP beta5-A49V mutant in complex with the epoxyketone inhibitor ONX 0914
分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-27
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QUY
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yCP beta5-A49S-mutant
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-14
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
6IU9
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BU of 6iu9 by Molmil
Crystal structure of cytoplasmic metal binding domain with iron ions
分子名称: FE (II) ION, VIT1, ZINC ION
著者Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
登録日2018-11-27
公開日2019-02-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
5CBS
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BU of 5cbs by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution
分子名称: (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors.
J.Med.Chem., 59, 2016
5CDQ
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2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
分子名称: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D, Srikannathasan, V, Chan, P.F.
登録日2015-07-04
公開日2015-12-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015

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