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1TQH
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Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est30
分子名称: Carboxylesterase precursor, PROPYL ACETATE, SULFATE ION
著者Liu, P, Wang, Y.F, Ewis, H.E, Abdelal, A.T, Lu, C.D, Harrison, R.W, Weber, I.T.
登録日2004-06-17
公開日2004-09-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.
J.Mol.Biol., 342, 2004
5D6T
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BU of 5d6t by Molmil
Crystal Structure of Aspergillus clavatus Sph3 in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, SPHERULIN-4, ...
著者Bamford, N.C, Little, D.J, Howell, P.L.
登録日2015-08-12
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Sph3 Is a Glycoside Hydrolase Required for the Biosynthesis of Galactosaminogalactan in Aspergillus fumigatus.
J.Biol.Chem., 290, 2015
7THH
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BU of 7thh by Molmil
SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
著者Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-11
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
4RAX
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BU of 4rax by Molmil
A regulatory domain of an ion channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Ge, J, Yang, M.
登録日2014-09-11
公開日2015-09-23
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
4QQD
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BU of 4qqd by Molmil
Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule
分子名称: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-08-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
6S6N
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BU of 6s6n by Molmil
Crystal structure of the Gorilla LL37(17-29) antimicrobial peptide
分子名称: Cathelicidin antimicrobial peptide
著者Landau, M, Engelberg, Y.
登録日2019-07-03
公開日2020-08-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Human LL-37(17-29) antimicrobial peptide reveals a functional supramolecular structure.
Nat Commun, 11, 2020
6S6M
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BU of 6s6m by Molmil
Crystal structure of the human LL37(17-29) antimicrobial peptide
分子名称: Cathelicidin antimicrobial peptide
著者Landau, M, Engelberg, Y.
登録日2019-07-03
公開日2020-08-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Human LL-37(17-29) antimicrobial peptide reveals a functional supramolecular structure.
Nat Commun, 11, 2020
6VEE
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BU of 6vee by Molmil
Solution structure of the TTD and linker region of mouse UHRF1 (NP95)
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H.
登録日2019-12-31
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
6VED
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BU of 6ved by Molmil
Solution structure of the TTD and linker region of UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H.
登録日2019-12-31
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1.
Nucleic Acids Res., 48, 2020
2KAF
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BU of 2kaf by Molmil
Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus
分子名称: Non-structural protein 3
著者Johnson, M.A, Mohanty, B, Pedrini, B, Serrano, P, Chatterjee, A, Herrmann, T, Joseph, J, Saikatendu, K, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-11-05
公開日2008-11-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.
J.Mol.Biol., 400, 2010
2KLU
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BU of 2klu by Molmil
NMR structure of the transmembrane and cytoplasmic domains of human CD4
分子名称: T-cell surface glycoprotein CD4
著者Wittlich, M, Willbold, D.
登録日2009-07-08
公開日2009-10-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the transmembrane and cytoplasmic domains of human CD4 in micelles.
Biochim.Biophys.Acta, 1798, 2010
2K9B
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BU of 2k9b by Molmil
Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy
分子名称: Dermadistinctin-K
著者Moraes, C.M, Verly, R.M, Resende, J.M, Aisenbrey, C, Bemquerer, M.P, Pilo-Veloso, D, Valente, A, Almeida, F.C.L, Bechinger, B.
登録日2008-10-07
公開日2009-04-14
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy.
Biophys.J., 96, 2009
2KJ4
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BU of 2kj4 by Molmil
Solution structure of the complex of VEK-30 and plasminogen kringle 2
分子名称: VEK-30, plasminogen
著者Wang, M, Zajicek, J, Prorok, M, Castellin, F.J.
登録日2009-05-21
公開日2009-10-20
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure of the complex of VEK-30 and plasminogen kringle 2.
J.Struct.Biol., 169, 2010
2KMZ
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BU of 2kmz by Molmil
NMR Structure of hFn14
分子名称: Tumor necrosis factor receptor superfamily member 12A
著者Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
登録日2009-08-10
公開日2011-06-29
最終更新日2013-05-01
実験手法SOLUTION NMR
主引用文献Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
2L0K
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BU of 2l0k by Molmil
NMR solution structure of a transcription factor SpoIIID in complex with DNA
分子名称: Stage III sporulation protein D
著者Chen, B, Himes, P, Lu, Z, Liu, A, Yan, H, Kroos, L.
登録日2010-07-08
公開日2011-08-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Novel Mode of DNA Binding by Bacterial Transcription Factor SpoIIID
To be Published
5G59
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BU of 5g59 by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121
分子名称: ESTERASE, MERCURY (II) ION
著者Varejao, N, Reverter, D.
登録日2016-05-23
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
7L4W
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BU of 7l4w by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
分子名称: (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase
著者Qin, L, Gay, S.C, Lane, W, Skene, R.J.
登録日2020-12-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4U
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BU of 7l4u by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1h
分子名称: (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase
著者Qin, L, Lane, W, Skene, R.J, Dougan, D.
登録日2020-12-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4T
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BU of 7l4t by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ...
著者Qin, L, Gay, S.C, Lane, W, Skene, R.J.
登録日2020-12-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L50
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BU of 7l50 by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 4f
分子名称: (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase
著者Qin, L, Lane, W, Skene, R.J.
登録日2020-12-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
5G5M
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BU of 5g5m by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P21
分子名称: ESTERASE, S-methyl hexanethioate
著者Varejao, N, Reverter, D.
登録日2016-05-26
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
1WBR
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BU of 1wbr by Molmil
SOLUTION STRUCTURE OF THE HUMAN CD4 (403-419) RECEPTOR PEPTIDE, NMR, 32 STRUCTURES
分子名称: CD4 RECEPTOR
著者Willbold, D, Roesch, P.
登録日1996-12-20
公開日1997-03-12
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution Structure of the Human CD4 (403-419) Receptor Peptide.
J.Biomed.Sci., 3, 1996
5HLJ
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BU of 5hlj by Molmil
Crystal Structure of Major Envelope Protein VP24 from White Spot Syndrome Virus
分子名称: VP24
著者Sun, L.F, Su, Y.T, Zhao, Y.H, Fu, Z.Q, Wu, Y.K.
登録日2016-01-15
公開日2016-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Crystal Structure of Major Envelope Protein VP24 from White Spot Syndrome Virus
Sci Rep, 6, 2016
5IAY
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BU of 5iay by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Spacer
著者Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y.
登録日2016-02-22
公開日2016-04-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Nat Commun, 7, 2016
5G5C
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BU of 5g5c by Molmil
Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221
分子名称: ESTERASE
著者Varejao, N, Reverter, D.
登録日2016-05-23
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018

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