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PDB: 42439 件

5LOD
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Crystal structure of HhaI DNA methyltransferase in APO form
分子名称: Modification methylase HhaI, SULFATE ION
著者Rondelet, G, Wouters, J.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition studies of DNA methyltransferases by maleimide derivatives of RG108 as non-nucleoside inhibitors.
Future Med Chem, 9, 2017
7E6R
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BU of 7e6r by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.6
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-02-23
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6L
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Crystal structure of HCoV-NL63 3C-like protease,pH5.0
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78037143 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
3AE4
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BU of 3ae4 by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide
分子名称: 2-iodo-N-methylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
登録日2010-02-04
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide
To be Published
7E6M
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BU of 7e6m by Molmil
Crystal structure of Human coronavirus NL63 3C-like protease
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83445024 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
6D56
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BU of 6d56 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
5LTY
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BU of 5lty by Molmil
Homeobox transcription factor CDX2 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-07
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
7E6N
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BU of 7e6n by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.2
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8413 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
3GP0
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BU of 3gp0 by Molmil
Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ...
著者Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-03-20
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
6D5J
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BU of 6d5j by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6CXA
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BU of 6cxa by Molmil
Structure of alpha-GSA[20,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
5M17
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BU of 5m17 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2016-10-07
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
1R4Y
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BU of 1r4y by Molmil
SOLUTION STRUCTURE OF THE DELETION MUTANT DELTA(7-22) OF THE CYTOTOXIC RIBONUCLEASE ALPHA-SARCIN
分子名称: Ribonuclease alpha-sarcin
著者Garcia-Mayoral, M.F, Garcia-Ortega, L, Lillo, M.P, Santoro, J, Martinez Del Pozo, A, Gavilanes, J.G, Rico, M, Bruix, M.
登録日2003-10-09
公開日2004-04-06
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献NMR structure of the noncytotoxic {alpha}-sarcin mutant {Delta}(7-22): The importance of the native conformation of peripheral loops for activity.
Protein Sci., 13, 2004
3AM8
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BU of 3am8 by Molmil
Crystal Structure of a Human Major Histocompatibilty complex
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Chacko, J, Clements, C, Rossjohn, J.
登録日2010-08-18
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a Human Major Histocompatibility complex
To be Published
5DH8
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BU of 5dh8 by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction- G12A mutant in Zn2+
分子名称: 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', RNA (48-MER), ZINC ION
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-08-29
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.297 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
1RGG
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BU of 1rgg by Molmil
HYDROLASE, GUANYLORIBONUCLEASE
分子名称: RIBONUCLEASE, SULFATE ION
著者Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
登録日1995-06-05
公開日1996-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
5LSK
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CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C COMPLEX
分子名称: Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ...
著者Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
登録日2016-09-02
公開日2016-11-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
5LTC
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BU of 5ltc by Molmil
Crystal structure of doubly spin labelled VcSiaP R125
分子名称: C4-dicarboxylate-binding periplasmic protein
著者Peter, M, Glaenzer, J, Hagelueken, G.
登録日2016-09-06
公開日2017-01-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献PELDOR Spectroscopy Reveals Two Defined States of a Sialic Acid TRAP Transporter SBP in Solution.
Biophys. J., 112, 2017
4LKK
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BU of 4lkk by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
5LWU
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Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-09-19
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LUX
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BU of 5lux by Molmil
Homeobox transcription factor CDX1 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ...
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-12
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
4LKH
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The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
5LWT
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BU of 5lwt by Molmil
Endothiapepsin in complex with a methoxylated derivative of fragment 177
分子名称: 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-09-19
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
3AVH
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BU of 3avh by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ...
著者Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
登録日2011-03-05
公開日2012-01-18
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
5LS3
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Crystal structure of metallo-beta-lactamase SPM-1 with Y58C mutation
分子名称: Beta-lactamase IMP-1, ZINC ION
著者Hinchliffe, P, Spencer, J.
登録日2016-08-22
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献(19) F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the Sao Paulo Metallo-beta-Lactamase.
Angew. Chem. Int. Ed. Engl., 56, 2017

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件を2024-08-07に公開中

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