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4J1P
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BU of 4j1p by Molmil
X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain containing 2, ...
著者Stein, A.J, White, A, Suto, R.K.
登録日2013-02-01
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
登録日2020-01-29
公開日2020-09-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
7BG0
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BU of 7bg0 by Molmil
Fusion of MBP and the backbone of the long-acting amylin analog AM833.
分子名称: Maltose/maltodextrin-binding periplasmic protein,Islet amyloid polypeptide, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Johansson, E.
登録日2021-01-05
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Development of Cagrilintide, a Long-Acting Amylin Analogue.
J.Med.Chem., 64, 2021
7BO6
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BU of 7bo6 by Molmil
VDR complex with LCA derivative
分子名称: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-01-24
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
5FBE
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BU of 5fbe by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2
分子名称: Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
著者Ostermann, N, Zink, F.
登録日2015-12-14
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5U57
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BU of 5u57 by Molmil
Psf4 in complex with Fe2+ and (S)-2-HPP
分子名称: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION
著者Chekan, J.R, Nair, S.K.
登録日2016-12-06
公開日2017-01-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5FCE
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BU of 5fce by Molmil
The crystal structure of the ligand binding region of Serine-glutamate repeat protein A (SgrA) of Enterococcus faecium
分子名称: LPXTG family cell surface protein Fms2
著者Ponnuraj, K, Nagarajan, R.
登録日2015-12-15
公開日2016-07-06
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献The crystal structure of the ligand-binding region of serine-glutamate repeat containing protein A (SgrA) of Enterococcus faecium reveals a new protein fold: functional characterization and insights into its adhesion function.
FEBS J., 283, 2016
6VI0
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BU of 6vi0 by Molmil
Cryo-EM structure of VRC01.23 in complex with HIV-1 Env BG505 DS.SOSIP
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, BG505 gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2020-01-10
公開日2021-01-13
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献A matrix of structure-based designs yields improved VRC01-class antibodies for HIV-1 therapy and prevention.
Mabs, 13
6VJA
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BU of 6vja by Molmil
Structure of CD20 in complex with rituximab Fab
分子名称: B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ...
著者Rohou, A, Croll, T.I.
登録日2020-01-15
公開日2020-02-26
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of CD20 in complex with the therapeutic monoclonal antibody rituximab.
Science, 367, 2020
4IU1
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BU of 4iu1 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor nor-NOHA
分子名称: Arginase, GLYCEROL, MANGANESE (II) ION, ...
著者D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
登録日2013-01-19
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
4J27
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BU of 4j27 by Molmil
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in a novel crystal form
分子名称: Alpha-L-fucosidase, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W.
登録日2013-02-04
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.
Bioorg.Med.Chem., 21, 2013
5U7R
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BU of 5u7r by Molmil
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2
著者Hoffman, I.D, Skene, R.J.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
8G82
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BU of 8g82 by Molmil
Vancomycin bound to D-Ala-D-Ser
分子名称: BORIC ACID, D-Ala-D-Ser, DIMETHYL SULFOXIDE, ...
著者Loll, P.J, Park, J.H.
登録日2023-02-17
公開日2024-01-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of vancomycin bound to the resistance determinant D-alanine-D-serine.
Iucrj, 11, 2024
7BMS
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BU of 7bms by Molmil
HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant)
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMW
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BU of 7bmw by Molmil
p62PH in cesium chloride (0.75 M CsCl in cryo protectant)
分子名称: CESIUM ION, CHLORIDE ION, RNA polymerase II transcription factor B 73 kDa subunit-like protein
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMO
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BU of 7bmo by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Hen egg white lysozyme, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
7BMP
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BU of 7bmp by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant).
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMU
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BU of 7bmu by Molmil
p62PH in cesium chloride (0.25 M CsCl in protein buffer)
分子名称: CESIUM ION, CHLORIDE ION, POTASSIUM ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7BMX
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BU of 7bmx by Molmil
p62PH in cesium chloride (0.25 M CsCl in protein buffer and 0.75 M CsCl in cryo protectant)
分子名称: CESIUM ION, CHLORIDE ION, RNA polymerase II transcription factor B 73 kDa subunit-like protein
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
7BMZ
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BU of 7bmz by Molmil
p62PH in potassium chloride
分子名称: CHLORIDE ION, POTASSIUM ION, RNA polymerase II transcription factor B 73 kDa subunit-like protein
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMR
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BU of 7bmr by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant)
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMV
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BU of 7bmv by Molmil
p62PH in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant)
分子名称: CESIUM ION, CHLORIDE ION, RNA polymerase II transcription factor B 73 kDa subunit-like protein
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021

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