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6MHC
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BU of 6mhc by Molmil
Glutathione S-Transferase Omega 1 bound to covalent inhibitor 37
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-09-17
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 62, 2019
6MN7
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BU of 6mn7 by Molmil
Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment
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, BF520.1 Fab variable region, ...
著者Williams, J.A, Lee, K.K, Overbaugh, J.
登録日2018-10-01
公開日2019-03-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage.
Nat Commun, 10, 2019
6MS3
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BU of 6ms3 by Molmil
Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis
分子名称: CALCIUM ION, GLYCEROL, Glycoside Hydrolase Family 43, ...
著者Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T.
登録日2018-10-16
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43.
Biotechnol. Bioeng., 116, 2019
6MXF
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BU of 6mxf by Molmil
MicroED structure of thiostrepton at 1.9 A resolution
分子名称: Thiostrepton
著者Jones, C.G, Martynowycz, M.W, Hattne, J, Fulton, T, Stoltz, B.M, Rodriguez, J.A, Nelson, H.M, Gonen, T.
登録日2018-10-30
公開日2018-11-21
最終更新日2023-11-15
実験手法ELECTRON CRYSTALLOGRAPHY (1.91 Å)
主引用文献The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
ACS Cent Sci, 4, 2018
6N3Z
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BU of 6n3z by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4
分子名称: Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
著者de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-16
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6MR6
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BU of 6mr6 by Molmil
E. coli cysteine desulfurase SufS H55A with a cysteine persulfide intermediate
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Dunkle, J.A, Frantom, P.A.
登録日2018-10-11
公開日2019-01-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Structural Evidence for Dimer-Interface-Driven Regulation of the Type II Cysteine Desulfurase, SufS.
Biochemistry, 58, 2019
6N5H
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BU of 6n5h by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH
著者Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors
Int. J. Biol. Macromol., 129, 2019
6MWN
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BU of 6mwn by Molmil
Crystal structure of hepatitis A virus IRES domain V in complex with Fab HAVx
分子名称: Fab HAVx Heavy Chain, Fab HAVx Light Chain, HAV dV RNA (92-MER)
著者Koirala, D, Shao, Y, Piccirilli, J.A.
登録日2018-10-29
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.838 Å)
主引用文献A conserved RNA structural motif for organizing topology within picornaviral internal ribosome entry sites.
Nat Commun, 10, 2019
6N04
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BU of 6n04 by Molmil
The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces
分子名称: AbsH3, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE
著者Clinger, J.A, Wang, X, Cai, W, Miller, M.D, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-11-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.
Proteins, 2020
6N5F
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BU of 6n5f by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3
分子名称: Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6N5G
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BU of 6n5g by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2
分子名称: 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
7JJP
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BU of 7jjp by Molmil
Sheep Connexin-50 at 1.9 angstroms resolution by CryoEM
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-27
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (1.94 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
2WSA
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BU of 2wsa by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646)
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC)
登録日2009-09-04
公開日2010-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
7JMD
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BU of 7jmd by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 1
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JLW
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BU of 7jlw by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 1
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-30
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
5IJT
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BU of 5ijt by Molmil
Human Peroxiredoxin 2 Oxidized (SS)
分子名称: Peroxiredoxin-2, ZINC ION
著者Haynes, A.C, Bolduc, J.A, Lowther, W.T.
登録日2016-03-02
公開日2017-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Novel hyperoxidation resistance motifs in 2-Cys peroxiredoxins.
J. Biol. Chem., 293, 2018
7JMC
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BU of 7jmc by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 3
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
7JN1
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BU of 7jn1 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 3
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-08-03
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4DH2
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BU of 4dh2 by Molmil
Crystal structure of Coh-OlpC(Cthe_0452)-Doc435(Cthe_0435) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405
分子名称: CALCIUM ION, Cellulosome anchoring protein cohesin region, Dockerin type 1, ...
著者Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A.
登録日2012-01-27
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode.
J.Biol.Chem., 287, 2012
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
5VGB
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BU of 5vgb by Molmil
Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1
分子名称: Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ...
著者Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A.
登録日2017-04-10
公開日2017-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
5VFX
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BU of 5vfx by Molmil
Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA
分子名称: TcpK, oriT
著者Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C.
登録日2017-04-10
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
5VVL
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BU of 5vvl by Molmil
Cas1-Cas2 bound to full-site mimic with Ni
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (11-MER), ...
著者Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
登録日2017-05-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structures of the CRISPR genome integration complex.
Science, 357, 2017
5VZL
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BU of 5vzl by Molmil
cryo-EM structure of the Cas9-sgRNA-AcrIIA4 anti-CRISPR complex
分子名称: CRISPR-associated endonuclease Cas9, phage anti-CRISPR AcrIIA4, single guide RNA (116-MER)
著者Jiang, F, Liu, J.J, Nogales, E, Doudna, J.A.
登録日2017-05-29
公開日2017-07-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Disabling Cas9 by an anti-CRISPR DNA mimic.
Sci Adv, 3, 2017
5W3V
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BU of 5w3v by Molmil
Crystal Structure of macaque APOBEC3H in complex with RNA
分子名称: Apobec3H, RNA (5'-R(P*AP*AP*CP*CP*CP*CP*GP*GP*GP*C)-3'), RNA (5'-R(P*AP*AP*CP*CP*CP*GP*GP*GP*GP*A)-3'), ...
著者Bohn, J.A, Thummar, K, York, A, Raymond, A, Brown, W.C, Bieniasz, P.D, Hatziioannou, T, Smith, J.L.
登録日2017-06-08
公開日2017-10-25
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA.
Nat Commun, 8, 2017

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