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5KA9
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BU of 5ka9 by Molmil
Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2016-06-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
5I8G
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CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5K7B
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BU of 5k7b by Molmil
Beclin 2 CCD homodimer
分子名称: Beclin-2
著者Su, M, Sinha, S.
登録日2016-05-25
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
5WCH
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BU of 5wch by Molmil
Crystal structure of the catalytic domain of human USP9X
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2018-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
分子名称: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
著者Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
登録日2020-08-30
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
3EBB
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BU of 3ebb by Molmil
PLAP/P97 complex
分子名称: MAGNESIUM ION, PHOSPHOLIPASE A2-ACTIVATING PROTEIN, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE (TER ATP
著者Walker, J.R, Qiu, L, Akutsu, M, Slessarev, Y, Amaya, M.F, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-08-27
公開日2009-02-24
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the PLAA/Ufd3-p97/Cdc48 complex.
J.Biol.Chem., 285, 2010
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I8B
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BU of 5i8b by Molmil
CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5218 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
1HRV
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BU of 1hrv by Molmil
HRV14/SDZ 35-682 COMPLEX
分子名称: 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Oren, D.A, Zhang, A, Arnold, E.
登録日1995-03-02
公開日1995-06-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
6KM7
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BU of 6km7 by Molmil
The structural basis for the internal interaction in RBBP5
分子名称: HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, Retinoblastoma-binding protein 5, ...
著者Han, J, Li, T, Chen, Y.
登録日2019-07-31
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The internal interaction in RBBP5 regulates assembly and activity of MLL1 methyltransferase complex.
Nucleic Acids Res., 47, 2019
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 pentamer
分子名称: Major capsid protein L1
著者Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
登録日2018-09-25
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
分子名称: Major capsid protein L1
著者Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
登録日2018-09-25
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
分子名称: ARSENIC, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
登録日2021-08-24
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8D8R
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BU of 8d8r by Molmil
SARS-CoV-2 Spike RBD in complex with DMAb 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8D8Q
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BU of 8d8q by Molmil
SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8FIS
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BU of 8fis by Molmil
Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2022-12-16
公開日2023-02-01
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency.
Mabs, 15, 2023
4N9G
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BU of 4n9g by Molmil
Crystal Structure of a Computationally Designed RSV-Presenting Epitope Scaffold And Its Elicited Antibody 17HD9
分子名称: Antibody 17HD9, Heavy Chain, Light Chain, ...
著者Carrico, C.T.D, Strong, R.K.
登録日2013-10-21
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
7CI0
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BU of 7ci0 by Molmil
Microbial Hormone-sensitive lipase E53 mutant S162A
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
7CIH
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BU of 7cih by Molmil
Microbial Hormone-sensitive lipase E53 mutant S285G
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2020-07-07
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Front Microbiol, 12, 2021
5ZYT
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BU of 5zyt by Molmil
Crystal structure of human MGME1 with 3' overhang double strand DNA3
分子名称: DNA (5'-D(P*CP*TP*TP*CP*TP*TP*CP*C)-3'), Mitochondrial genome maintenance exonuclease 1
著者Yang, C, Gan, J.
登録日2018-05-28
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
8GY1
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BU of 8gy1 by Molmil
Crystal structure of Ag+ binding to Dendrorhynchus zhejiangensis ferritin
分子名称: Ferritin, GLYCEROL, SILVER ION
著者Ming, T.H, Su, X.R, Huo, C.H.
登録日2022-09-21
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
4NK5
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Crystal structure of FabI-NAD complex from Candidatus Liberibacter asiaticus
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jiang, L, Gao, Z.Q, Dong, Y.H.
登録日2013-11-12
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
5ZYW
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BU of 5zyw by Molmil
The crystal structure of apo-HsMGME1 with Mn2+
分子名称: GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ...
著者Yang, C, Gan, J.
登録日2018-05-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018

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件を2024-08-07に公開中

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