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4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCV
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BU of 4ucv by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4V7F
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BU of 4v7f by Molmil
Arx1 pre-60S particle.
分子名称: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Leidig, C, Thoms, M, Holdermann, I, Bradatsch, B, Berninghausen, O, Bange, G, Sinning, I, Hurt, E, Beckmann, R.
登録日2013-12-10
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献60S ribosome biogenesis requires rotation of the 5S ribonucleoprotein particle.
Nat Commun, 5, 2014
4V1A
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BU of 4v1a by Molmil
Structure of the large subunit of the mammalian mitoribosome, part 2 of 2
分子名称: MITORIBOSOMAL PROTEIN ML37, MRPL37, MITORIBOSOMAL PROTEIN ML38, ...
著者Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
登録日2014-09-25
公開日2014-10-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
4V5H
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BU of 4v5h by Molmil
E.Coli 70s Ribosome Stalled During Translation Of Tnac Leader Peptide.
分子名称: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Seidelt, B, Innis, C.A, Wilson, D.N, Gartmann, M, Armache, J, Villa, E, Trabuco, L.G, Becker, T, Mielke, T, Schulten, K, Steitz, T.A, Beckmann, R.
登録日2009-10-26
公開日2014-07-09
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structural insight into nascent polypeptide chain-mediated translational stalling.
Science, 326, 2009
4V4G
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BU of 4v4g by Molmil
Crystal structure of five 70s ribosomes from Escherichia Coli in complex with protein Y.
分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
著者Vila-Sanjurjo, A, Schuwirth, B.S, Hau, C.W, Cate, J.H.
登録日2004-10-06
公開日2014-07-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (11.5 Å)
主引用文献Structural basis for the control of translation initiation during stress.
Nat.Struct.Mol.Biol., 11, 2004
4W55
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BU of 4w55 by Molmil
T4 Lysozyme L99A with n-Propylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6401 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W58
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BU of 4w58 by Molmil
T4 Lysozyme L99A with n-Pentylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
9EUP
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BU of 9eup by Molmil
Inhibitor-free outward-open structure of Drosophila dopamine transporter
分子名称: 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ...
著者Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A.
登録日2024-03-27
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site.
J.Neurochem., 2024
2AVA
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BU of 2ava by Molmil
Solution Structure of Stearoyl-Acyl Carrier Protein
分子名称: Acyl carrier protein I, chloroplast
著者Zornetzer, G.A, Fox, B.G, Markley, J.L.
登録日2005-08-29
公開日2006-04-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of spinach acyl carrier protein with decanoate and stearate
Biochemistry, 45, 2006
9C83
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BU of 9c83 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide
著者Liu, F, Shoichet, B.K.
登録日2024-06-11
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9ER3
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BU of 9er3 by Molmil
Cyanide dihydratase from Bacillus pumilus C1 E155R variant with altered helical twist.
分子名称: Cyanide dihydratase
著者Dlamini, L.S, Woodward, J.D, Sewell, B.T.
登録日2024-03-22
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cyanide dihydratase from Bacillus pumilus C1 E155R variant with altered helical twist
To Be Published
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
分子名称: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
著者Vecchio, A.J.
登録日2024-04-15
公開日2024-04-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8YRG
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BU of 8yrg by Molmil
CryoEM structure of fospropofol-bound MRGPRX4-Gq complex
分子名称: Gs-mini-Gq chimera, 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Cao, C, Fay, J.F, Roth, B.L.
登録日2024-03-21
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
9FWC
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BU of 9fwc by Molmil
Coxsackievirus B3 3C protease in C121 spacegroup
分子名称: Genome polyprotein
著者Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
登録日2024-06-28
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Coxsackievirus B3 3C protease in C121 spacegroup
To Be Published
9CK3
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BU of 9ck3 by Molmil
Cryo-EM structure of in-vitro alpha-synuclein fibril
分子名称: Alpha-synuclein
著者Sanchez, J.C, Borcik, C.G, Tonelli, M, Sibert, B, Rienstra, C.M, Wright, E.R.
登録日2024-07-08
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (2.04 Å)
主引用文献Multimodal High-Resolution Structure Determination Of Alpha-Synuclein Fibrils
To Be Published
9C8J
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BU of 9c8j by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: AmpC Beta-lactamase, N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
著者Liu, F, Shoichet, B.K.
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9FQ2
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BU of 9fq2 by Molmil
Poliovirus 3C protease in H32 spacegroup
分子名称: Protease 3C
著者Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
登録日2024-06-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Poliovirus 3C protease in H32 spacegroup
To Be Published
8YC0
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BU of 8yc0 by Molmil
T cell receptor V delta2 V gamma9 in GDN
分子名称: CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2024-02-17
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
9C6P
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BU of 9c6p by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K.
登録日2024-06-08
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.663 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
2AJE
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BU of 2aje by Molmil
Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain
分子名称: telomere repeat-binding protein
著者Hsiao, H.H, Sue, S.C, Chung, B.C, Cheng, Y.H, Huang, T.H.
登録日2005-08-01
公開日2006-07-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Arabidopsis thaliana telomeric repeat-binding protein DNA binding domain: a new fold with an additional C-terminal helix
J.Mol.Biol., 356, 2006
9C84
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BU of 9c84 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K.
登録日2024-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9C81
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BU of 9c81 by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase
著者Liu, F, Shoichet, B.K, Bassim, V.
登録日2024-06-11
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published

223790

件を2024-08-14に公開中

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