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8CZ4
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BU of 8cz4 by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C3
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7P1Z
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BU of 7p1z by Molmil
Novel GH12 endogluconase from Aspergillus cervinus
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Glycoside hydrolase, ...
著者Lazarenko, V.A, Rykov, S.V, Nikolaeva, A.Y, Berezina, O.V, Akentyev, F.I.
登録日2021-07-03
公開日2021-07-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Unusual substrate specificity in GH family 12: structure-function analysis of glucanases Bgh12A and Xgh12B from Aspergillus cervinus, and Egh12 from Thielavia terrestris.
Appl.Microbiol.Biotechnol., 106, 2022
8CRC
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BU of 8crc by Molmil
Structure of human Plk1 PBD in complex with Allopole-A
分子名称: 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1
著者Kirsch, K, Park, J.E, Lee, K.S.
登録日2023-03-08
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PGF
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BU of 6pgf by Molmil
WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
分子名称: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
5AKC
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BU of 5akc by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 2
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.6 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
6AZH
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BU of 6azh by Molmil
Clostridium perfringens putative fatty acid metabolism regulator
分子名称: TetR family transcriptional regulator
著者William, W.G, Redinbo, M.R.
登録日2017-09-11
公開日2017-12-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the regulation of beta-glucuronidase expression by human gut Enterobacteriaceae.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8PMG
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BU of 8pmg by Molmil
Structure of Nal1 indica cultivar IR64, construct 36-458
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Huang, L.Y, Rety, S, Xi, X.G.
登録日2023-06-28
公開日2024-04-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献The catalytic triad of rice NARROW LEAF1 involves H234.
Nat.Plants, 10, 2024
7ONO
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BU of 7ono by Molmil
Crystal structure of PBP3 transpeptidase domain from E. coli
分子名称: Peptidoglycan D,D-transpeptidase FtsI, trimethylamine oxide
著者Freischem, S, Grimm, I, Weiergraeber, O.H.
登録日2021-05-25
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
6MGP
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BU of 6mgp by Molmil
Structure of human 4-1BB / 4-1BBL complex
分子名称: ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-14
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
6AZQ
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BU of 6azq by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
分子名称: CALCIUM ION, Putative amidase, dicarbonimidic diamide
著者Peat, T.S, Esquirol, L, Newman, J, Scott, C.
登録日2017-09-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
7OT2
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BU of 7ot2 by Molmil
Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4j
分子名称: 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ...
著者Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D.
登録日2021-06-09
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
7OPI
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BU of 7opi by Molmil
Structure of a minimal SF3B core in complex with the inactive modulator spliceostatin E (form I)
分子名称: PHD finger-like domain-containing protein 5A, Spliceostatin E (form I), Splicing factor 3B subunit 1, ...
著者Cretu, C, Pena, V.
登録日2021-05-31
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
6VFW
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BU of 6vfw by Molmil
Crystal structure of human delta protocadherin 10 EC1-EC4
分子名称: CALCIUM ION, Protocadherin-10, alpha-D-mannopyranose, ...
著者Harrison, O.J, Brasch, J, Shapiro, L.
登録日2020-01-06
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
6PAQ
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BU of 6paq by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
著者Fan, C, Kaiser, J.T, Rees, D.C.
登録日2019-06-11
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
7OM2
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BU of 7om2 by Molmil
Thosea asigna virus RdRP domain in complex with Mg+2
分子名称: GLYCEROL, MAGNESIUM ION, RNA-dependent RNA polymerase, ...
著者Ferrero, D.S, Falqui, M, Verdaguer, N.
登録日2021-05-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Snapshots of a Non-Canonical RdRP in Action.
Viruses, 13, 2021
8D4Z
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BU of 8d4z by Molmil
Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763
分子名称: 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Bell, J.A.
登録日2022-06-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
8PML
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BU of 8pml by Molmil
Structure of Nal1 protein , SPIKE allele from japonica rice, construct 46-458
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein NARROW LEAF 1
著者Huang, L.Y, Rety, S, Xi, X.G.
登録日2023-06-29
公開日2024-04-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The catalytic triad of rice NARROW LEAF1 involves H234.
Nat.Plants, 10, 2024
6MHF
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BU of 6mhf by Molmil
Galphai3 co-crystallized with GIV/Girdin
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Girdin, ...
著者Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I.
登録日2018-09-17
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for GPCR-independent activation of heterotrimeric Gi proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
6VGW
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BU of 6vgw by Molmil
Crystal structure of VidaL intein (selenomethionine variant)
分子名称: GLYCEROL, SULFATE ION, VidaL
著者Burton, A.J, Haugbro, M, Parisi, E, Muir, T.W.
登録日2020-01-09
公開日2020-05-27
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Live-cell protein engineering with an ultra-short split intein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PB9
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BU of 6pb9 by Molmil
Crystal structure of unsaturated fatty acid bound ToxT K231A from Vibrio cholerae strain SCE256
分子名称: PALMITOLEIC ACID, Toxin co-regulated pilus virulence regulatory protein
著者Cruite, J.T, Kull, F.J.
登録日2019-06-13
公開日2020-01-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Structural basis for virulence regulation inVibrio choleraeby unsaturated fatty acid components of bile.
Commun Biol, 2, 2019
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
分子名称: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-09-23
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
6PI5
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BU of 6pi5 by Molmil
The evolving story of AtzT, a periplasmic binding protein
分子名称: Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE
著者Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
登録日2019-06-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
7OOV
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BU of 7oov by Molmil
Crystal structure of PIM1 in complex with ARC-1411
分子名称: 1,2-ETHANEDIOL, Inhibitor ARC-1411, SULFATE ION, ...
著者Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-05-28
公開日2021-08-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
6VH1
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BU of 6vh1 by Molmil
2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h
分子名称: N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6B12
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BU of 6b12 by Molmil
Structure of Tne2 in complex with Tni2
分子名称: Tne2, Tni2
著者Tang, J.Y, Whitney, J.C.
登録日2017-09-15
公開日2017-12-20
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Diverse NADase effector families mediate interbacterial antagonism via the type VI secretion system.
J. Biol. Chem., 293, 2018

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件を2024-08-21に公開中

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