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2GNJ
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PKA three fold mutant model of Rho-kinase with Y-27632
分子名称: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2HB0
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BU of 2hb0 by Molmil
Crystal Structure of CfaE, the Adhesive Subunit of CFA/I Fimbria of Enterotoxigenic Escherichia coli
分子名称: CFA/I fimbrial subunit E, DI(HYDROXYETHYL)ETHER, MALONATE ION
著者Li, Y.F, Xia, D, Poole, S, Rasulova, F, Savarino, S.J.
登録日2006-06-13
公開日2007-06-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A receptor-binding site as revealed by the crystal structure of CfaE, the colonization factor antigen I fimbrial adhesin of enterotoxigenic Escherichia coli.
J.Biol.Chem., 282, 2007
2GNH
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BU of 2gnh by Molmil
PKA five fold mutant model of Rho-kinase with H1152P
分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
7TEW
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BU of 7tew by Molmil
Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
5DQC
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BU of 5dqc by Molmil
Co-crystal of BACE1 with compound 0211
分子名称: Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D.
登録日2015-09-14
公開日2016-02-17
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.4651 Å)
主引用文献Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
7TEZ
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BU of 7tez by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
8HPA
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Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ...
著者Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
登録日2022-12-12
公開日2024-01-31
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Cryo-EM structures of human monkeypox viral replication complexes with and without DNA duplex.
Cell Res., 33, 2023
3EHJ
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BU of 3ehj by Molmil
Crystal structure of DesKC-H188V in complex with AMP-PCP
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein)
著者Albanesi, D, Alzari, P.M, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
8HIU
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BU of 8hiu by Molmil
Crystal structure of O-carbamoyltransferase VtdB and the compound VtdB with carbamoyladenylate from Streptomyces sp. NO1W98
分子名称: Carbamoyltransferase, MAGNESIUM ION
著者Rao, D, Teng, Y.
登録日2022-11-22
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of O-carbamoyltransferase VtdB and the compound VtdB with carbamoyladenylate from Streptomyces sp. NO1W98
To Be Published
7TF2
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BU of 7tf2 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein
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, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
8H8F
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BU of 8h8f by Molmil
Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR (resting state)
分子名称: Proton-activated chloride channel
著者Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D.
登録日2022-10-22
公開日2024-05-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Molecular insights into the inhibition of proton-activated chloride channel by transfer RNA.
Cell Res., 34, 2024
7TF4
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BU of 7tf4 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein (focused refinement of RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
8H8E
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BU of 8h8e by Molmil
Structure of the dimeric Xenopus tropical acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (closed state)
分子名称: Proton-activated chloride channel, tRNA (75-MER)of Spodoptera frugiperda
著者Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D.
登録日2022-10-22
公開日2024-05-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Molecular insights into the inhibition of proton-activated chloride channel by transfer RNA.
Cell Res., 34, 2024
7TEX
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BU of 7tex by Molmil
Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
3MHO
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BU of 3mho by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide
分子名称: 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R.
登録日2010-04-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
8H8D
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BU of 8h8d by Molmil
Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (intermediate state)
分子名称: Proton-activated chloride channel
著者Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D.
登録日2022-10-22
公開日2024-05-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.26 Å)
主引用文献Molecular insights into the inhibition of proton-activated chloride channel by transfer RNA.
Cell Res., 34, 2024
7TF1
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BU of 7tf1 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein (focused refinement of RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
8I5D
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Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ...
著者Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F.
登録日2023-01-25
公開日2023-08-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
4KVR
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BU of 4kvr by Molmil
Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)
分子名称: Aldehyde decarbonylase, FE (III) ION, HEXANOIC ACID
著者Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S.
登録日2013-05-23
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase.
Chembiochem, 14, 2013
8HUA
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BU of 8hua by Molmil
Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R.
登録日2022-12-22
公開日2023-03-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 2023
3M5D
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BU of 3m5d by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase K302R mutant complexed with PALAO
分子名称: N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION
著者Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D.
登録日2010-03-12
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase.
Biochemistry, 49, 2010
1PGG
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BU of 1pgg by Molmil
PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), TRANS MODEL
分子名称: 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Loll, P.J, Picot, D, Garavito, R.M.
登録日1995-12-02
公開日1997-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
8IF4
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Structure of human alpha-2/delta-1 without mirogabalin
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, Voltage-dependent calcium channel subunit alpha-2/delta-1
著者Kozai, D, Numoto, N, Fujiyoshi, Y.
登録日2023-02-17
公開日2023-04-05
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
8IF3
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Structure of human alpha-2/delta-1 with mirogabalin
分子名称: 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kozai, D, Numoto, N, Fujiyoshi, Y.
登録日2023-02-17
公開日2023-04-05
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Recognition Mechanism of a Novel Gabapentinoid Drug, Mirogabalin, for Recombinant Human alpha 2 delta 1, a Voltage-Gated Calcium Channel Subunit.
J.Mol.Biol., 435, 2023
8IHP
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Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
著者Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y.
登録日2023-02-23
公開日2023-04-12
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Semliki Forest virus in complex with its receptor VLDLR.
Cell, 186, 2023

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