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5MT7
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Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-VRHA-cmk
分子名称: ACE-VAL-ARG-HIS-ALA-0QE, Rhomboid protease GlpG
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MT6
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BU of 5mt6 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-phenylethyl-ketoamide
分子名称: ACE-ARG-VAL-ARG-HIS-ALA-V9C, Rhomboid protease GlpG, nonyl beta-D-glucopyranoside
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
7WOT
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BU of 7wot by Molmil
Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
7WOO
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BU of 7woo by Molmil
Cryo-EM structure of the inner ring protomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
1KBQ
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BU of 1kbq by Molmil
Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936)
分子名称: 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Faig, M, Bianchet, M.A, Amzel, L.M.
登録日2001-11-06
公開日2002-01-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
5MT8
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BU of 5mt8 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-cmk
分子名称: ACE-ARG-VAL-ARG-HIS-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
6SB5
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BU of 6sb5 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pore form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Ni, T, Yu, X, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
5MKK
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Crystal structure of the heterodimeric ABC transporter TmrAB, a homolog of the antigen translocation complex TAP
分子名称: Multidrug resistance ABC transporter ATP-binding and permease protein, SULFATE ION
著者Noell, A, Thomas, C, Tomasiak, T.M, Olieric, V, Wang, M, Diederichs, K, Stroud, R.M, Pos, K.M, Tampe, R.
登録日2016-12-05
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6NPE
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C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
分子名称: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-17
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
7QVS
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BU of 7qvs by Molmil
Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP
分子名称: NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
著者Rahimova, R, Gelin, M, Labesse, G, Lionne, C.
登録日2022-01-23
公開日2022-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
1A5H
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BU of 1a5h by Molmil
CATALYTIC DOMAIN OF HUMAN TWO-CHAIN TISSUE PLASMINOGEN ACTIVATOR COMPLEX OF A BIS-BENZAMIDINE
分子名称: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, TISSUE PLASMINOGEN ACTIVATOR
著者Renatus, M, Bode, W, Stubbs, M.T.
登録日1998-02-17
公開日1999-04-20
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mapping of the active site specificity determinants of human tissue-type plasminogen activator. Implications for the design of low molecular weight substrates and inhibitors.
J.Biol.Chem., 272, 1997
8AG6
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BU of 8ag6 by Molmil
human MutSalpha (MSH2/MSH6) binding to DNA with a GT mismatch
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (50-MER), DNA mismatch repair protein Msh2, ...
著者Bruekner, S.R, Sixma, T.K.
登録日2022-07-19
公開日2023-01-25
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unexpected moves: a conformational change in MutS alpha enables high-affinity DNA mismatch binding.
Nucleic Acids Res., 51, 2023
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
分子名称: SspE protein
著者Bing, Y.Z, Yang, H.G.
登録日2019-02-23
公開日2020-03-25
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
分子名称: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
6JUF
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SspB crystal structure
分子名称: SspB protein
著者Liqiong, L, Yubing, Z.
登録日2019-04-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5YUF
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BU of 5yuf by Molmil
Crystal Structure of PML RING tetramer
分子名称: Protein PML, ZINC ION
著者Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G.
登録日2017-11-22
公開日2018-04-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献RING tetramerization is required for nuclear body biogenesis and PML sumoylation.
Nat Commun, 9, 2018
4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
8T4S
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BU of 8t4s by Molmil
MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Devarkar, S.C, Xiong, Y.
登録日2023-06-09
公開日2023-10-04
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for translation inhibition by MERS-CoV Nsp1 reveals a conserved mechanism for betacoronaviruses.
Cell Rep, 42, 2023
6LAN
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BU of 6lan by Molmil
Structure of CCDC50 and LC3B complex
分子名称: Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B
著者Liu, L, Li, J, Hou, P.
登録日2019-11-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection.
Cell Res., 31, 2021
6E5W
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BU of 6e5w by Molmil
Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD)
分子名称: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5
著者Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2018-07-23
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019

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