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4HON
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BU of 4hon by Molmil
Crystal structure of human JMJD2D/KDM4D in complex with an H3K9me3 peptide and 2-oxoglutarate
分子名称: 1,3-PROPANDIOL, 2-OXOGLUTARIC ACID, Histone H3 Peptide, ...
著者Krishnan, S, Trievel, R.C.
登録日2012-10-22
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
4HOO
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BU of 4hoo by Molmil
Crystal structure of human JMJD2D/KDM4D apoenzyme
分子名称: ACETATE ION, Lysine-specific demethylase 4D, NICKEL (II) ION, ...
著者Krishnan, S, Trievel, R.C.
登録日2012-10-22
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
8U5Y
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BU of 8u5y by Molmil
human RADX trimer bound to ssDNA
分子名称: DNA (25-MER), RPA-related protein RADX
著者Balakrishnan, S, Chazin, W.J.
登録日2023-09-13
公開日2023-10-11
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.
Biorxiv, 2023
8U61
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BU of 8u61 by Molmil
Human RADX tetramer bound to ssDNA
分子名称: RPA-related protein RADX, dT25 DNA (25-MER)
著者Balakrishnan, S, Chazin, W.J.
登録日2023-09-13
公開日2024-01-31
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.
Proc.Natl.Acad.Sci.USA, 121, 2024
5XEE
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BU of 5xee by Molmil
NMR solution structure of the aromatic mutant H43F H67F cytochrome b5
分子名称: Cytochrome b5
著者Balakrishnan, S, Sarma, S.P.
登録日2017-04-04
公開日2018-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins
Biochemistry, 56, 2017
5XE4
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BU of 5xe4 by Molmil
NMR solution structure of the aromatic mutant H43W H67F cytochrome b5
分子名称: Cytochrome b5
著者Balakrishnan, S, Sarma, S.P.
登録日2017-03-31
公開日2018-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins
Biochemistry, 56, 2017
4D9T
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BU of 4d9t by Molmil
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
分子名称: Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
著者Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
登録日2012-01-12
公開日2012-04-25
最終更新日2012-05-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
4D9U
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BU of 4d9u by Molmil
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
分子名称: Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
著者Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
登録日2012-01-12
公開日2012-04-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
4JG6
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BU of 4jg6 by Molmil
RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide
分子名称: (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
登録日2013-02-28
公開日2013-04-10
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
4JG7
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BU of 4jg7 by Molmil
Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide
分子名称: (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
登録日2013-02-28
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.0002 Å)
主引用文献Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
4JG8
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BU of 4jg8 by Molmil
Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide
分子名称: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3
著者Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J.
登録日2013-02-28
公開日2013-04-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1002 Å)
主引用文献Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
8S9W
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BU of 8s9w by Molmil
Murine S100A7/S100A15 in presence of calcium
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Harrison, S.A, Naretto, A, Balakrishnan, S, Chazin, W.J.
登録日2023-03-30
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Comparative analysis of the physical properties of murine and human S100A7: Insight into why zinc piracy is mediated by human but not murine S100A7.
J.Biol.Chem., 299, 2023
4MAO
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BU of 4mao by Molmil
RSK2 T493M C-Terminal Kinase Domain in Complex with RMM58
分子名称: (2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Taunton, J.
登録日2013-08-16
公開日2014-10-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis.
J.Am.Chem.Soc., 136, 2014
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
分子名称: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
著者Stagno, J.R, Wang, Y.-X.
登録日2020-02-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
分子名称: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
著者Stagno, J.R, Wang, Y.-X.
登録日2020-02-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
8P4X
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BU of 8p4x by Molmil
FAD_ox bound dark state structure of PdLCry
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment)
著者Behrmann, E, Behrmann, H.
登録日2023-05-23
公開日2023-11-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
6OCE
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BU of 6oce by Molmil
Structure of the rice hyperosmolality-gated ion channel OSCA1.2
分子名称: stress-gated cation channel 1.2
著者Maity, K, Heumann, J.M, McGrath, A.P, Chang, G, Stowell, M.H.
登録日2019-03-23
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Cryo-EM structure of OSCA1.2 fromOryza sativaelucidates the mechanical basis of potential membrane hyperosmolality gating.
Proc.Natl.Acad.Sci.USA, 116, 2019
7Y0D
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BU of 7y0d by Molmil
Cryo-EM structure of the Mycobacterium smegmatis DNA integrity scanning protein (MsDisA).
分子名称: DNA integrity scanning protein DisA
著者Gautam, S, Vinothkumar, K.R, Chatterji, D.
登録日2022-06-04
公開日2023-02-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Regulatory mechanisms of c-di-AMP synthase (MsDisA) protein from Mycobacterium smegmatis revealed by a structure - function analysis.
Protein Sci., 32, 2023
4GJY
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BU of 4gjy by Molmil
JMJD5 in complex with N-Oxalylglycine
分子名称: COBALT (II) ION, JmjC domain-containing protein 5, N-OXALYLGLYCINE
著者Del Rizzo, P.A, Trievel, R.C.
登録日2012-08-10
公開日2012-09-05
最終更新日2012-11-14
実験手法X-RAY DIFFRACTION (1.2492 Å)
主引用文献Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function.
Mol.Cell.Biol., 32, 2012
4GJZ
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BU of 4gjz by Molmil
JMJD5 in complex with 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, COBALT (II) ION, ...
著者Del Rizzo, P.A, Trievel, R.C.
登録日2012-08-10
公開日2012-09-05
最終更新日2012-11-14
実験手法X-RAY DIFFRACTION (1.0481 Å)
主引用文献Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function.
Mol.Cell.Biol., 32, 2012
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
分子名称: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
分子名称: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Taunton, J.
登録日2013-08-13
公開日2014-10-22
最終更新日2014-11-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
分子名称: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014

 

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