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4L1U
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BU of 4l1u by Molmil
Crystal Structure of Human Rtf1 Plus3 Domain in Complex with Spt5 CTR Phosphopeptide
分子名称: GLYCEROL, RNA polymerase-associated protein RTF1 homolog, SULFATE ION, ...
著者Wier, A.D, Heroux, A, VanDemark, A.P.
登録日2013-06-03
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Structural basis for Spt5-mediated recruitment of the Paf1 complex to chromatin.
Proc.Natl.Acad.Sci.USA, 110, 2013
1MNB
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BU of 1mnb by Molmil
BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: BIV TAR RNA, BIV TAT PEPTIDE
著者Puglisi, J.D, Chen, L, Blanchard, S, Frankel, A.D.
登録日1996-07-25
公開日1997-01-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex.
Science, 270, 1995
1N5Y
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BU of 1n5y by Molmil
HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P)
分子名称: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
登録日2002-11-07
公開日2003-01-28
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA
Embo J., 21, 2002
1N6Q
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BU of 1n6q by Molmil
HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N)
分子名称: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
登録日2002-11-11
公開日2003-01-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA
Embo J., 21, 2002
4JO8
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BU of 4jo8 by Molmil
Crystal structure of the activating Ly49H receptor in complex with m157 (G1F strain)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor 8, M157
著者Berry, R, Ng, N, Saunders, P.M, Vivian, J.P, Lin, J, Deuss, F.A, Corbett, A.J, Forbes, C.A, Widjaja, J.M, Sullivan, L.C, McAlister, A.D, Perugini, M.A, Call, M.J, Scalzo, A.A, Degli-Esposti, M.A, Coudert, J.D, Beddoe, T, Brooks, A.G, Rossjohn, J.
登録日2013-03-18
公開日2013-05-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Targeting of a natural killer cell receptor family by a viral immunoevasin
Nat.Immunol., 14, 2013
4JX4
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BU of 4jx4 by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase
分子名称: CHLORIDE ION, Pyruvate carboxylase, ZINC ION
著者Lietzan, A.D, St Maurice, M.
登録日2013-03-27
公開日2013-05-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献A Substrate-induced Biotin Binding Pocket in the Carboxyltransferase Domain of Pyruvate Carboxylase.
J.Biol.Chem., 288, 2013
1L5Z
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BU of 1l5z by Molmil
CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD
分子名称: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN DCTD, GLYCEROL, SULFATE ION
著者Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T.
登録日2002-03-08
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
1KEW
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BU of 1kew by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ...
著者Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1KER
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BU of 1ker by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
1P45
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BU of 1p45 by Molmil
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-21
公開日2003-09-16
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
4M5W
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BU of 4m5w by Molmil
Crystal structure of the USP7/HAUSP catalytic domain
分子名称: BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Molland, K.L, Mesecar, A.D, Zhou, Q.
登録日2013-08-08
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6DLU
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BU of 6dlu by Molmil
Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state
分子名称: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E.
登録日2018-06-02
公開日2018-08-01
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM of the dynamin polymer assembled on lipid membrane.
Nature, 560, 2018
1BH5
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BU of 1bh5 by Molmil
HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT
分子名称: LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION
著者Cameron, A.D, Jones, T.A.
登録日1998-06-13
公開日1998-11-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I.
J.Biol.Chem., 273, 1998
3OWX
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BU of 3owx by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
登録日2010-09-20
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E6O
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BU of 6e6o by Molmil
Pheromone from Euplotes raikovi, Er-1
分子名称: Mating pheromone Er-1/Er-3
著者Finke, A.D, Marsh, M.E.
登録日2018-07-25
公開日2019-08-07
実験手法X-RAY DIFFRACTION (0.7 Å)
主引用文献Ab initio crystal structure determination of Euplotes raikovi pheromones from high-resolution data
To Be Published
8QAQ
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BU of 8qaq by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents.
分子名称: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
著者Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
登録日2023-08-23
公開日2023-12-06
最終更新日2024-01-03
実験手法SOLUTION NMR
主引用文献Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
8Q7J
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BU of 8q7j by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability
分子名称: CYCLOSPORIN A
著者Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
登録日2023-08-16
公開日2023-12-06
最終更新日2024-01-03
実験手法SOLUTION NMR
主引用文献Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
8QAS
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BU of 8qas by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation.
分子名称: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
著者Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
登録日2023-08-23
公開日2023-12-06
最終更新日2024-01-03
実験手法SOLUTION NMR
主引用文献Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
8QBP
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BU of 8qbp by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation.
分子名称: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
著者Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
登録日2023-08-25
公開日2023-12-13
最終更新日2024-01-03
実験手法SOLUTION NMR
主引用文献Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
3OX1
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BU of 3ox1 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
登録日2010-09-21
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
8SLT
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BU of 8slt by Molmil
Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
8SLU
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BU of 8slu by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023

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