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PDB: 355 件

6CED
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BU of 6ced by Molmil
Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
5KH9
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BU of 5kh9 by Molmil
Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ...
著者Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
5KH7
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BU of 5kh7 by Molmil
Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Walker, J, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
4RGJ
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BU of 4rgj by Molmil
Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
分子名称: Calcium-dependent protein kinase 4
著者Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
登録日2014-09-30
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
3HQ2
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BU of 3hq2 by Molmil
BsuCP Crystal Structure
分子名称: Bacillus subtilis M32 carboxypeptidase, CHLORIDE ION, FLUORIDE ION, ...
著者Lee, M.M, Isaza, C.E, White, J.D, Chen, R.P.-Y, Liang, G.F.-C, He, H.T.-F, Chan, S.I, Chan, M.K.
登録日2009-06-05
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insight into the substrate length restriction of M32 carboxypeptidases: Characterization of two distinct subfamilies.
Proteins, 77, 2009
4WR2
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BU of 4wr2 by Molmil
Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
著者Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-10-22
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
5KUC
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BU of 5kuc by Molmil
Crystal structure of trypsin activated Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E.
登録日2016-07-13
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
5KUD
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BU of 5kud by Molmil
Crystal structure of full length Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K.
登録日2016-07-13
公開日2016-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
1KA2
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BU of 1ka2 by Molmil
Structure of Pyrococcus furiosus Carboxypeptidase Apo-Mg
分子名称: M32 carboxypeptidase, MAGNESIUM ION
著者Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K.
登録日2001-10-31
公開日2002-11-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
3HOA
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BU of 3hoa by Molmil
Crystal structure of the Thermus thermophilus M32 carboxypeptidase
分子名称: GLYCEROL, Thermostable carboxypeptidase 1
著者Lee, M.M, Chan, M.K.
登録日2009-06-01
公開日2009-06-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insight into the substrate length restriction of M32 carboxypeptidases: Characterization of two distinct subfamilies.
Proteins, 77, 2009
1KA4
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BU of 1ka4 by Molmil
Structure of Pyrococcus furiosus carboxypeptidase Nat-Pb
分子名称: LEAD (II) ION, M32 carboxypeptidase
著者Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K.
登録日2001-10-31
公開日2002-11-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
1K9X
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BU of 1k9x by Molmil
Structure of Pyrococcus furiosus carboxypeptidase Apo-Yb
分子名称: M32 carboxypeptidase
著者Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K.
登録日2001-10-31
公開日2002-11-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
3E95
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BU of 3e95 by Molmil
Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a
分子名称: UNKNOWN ATOM OR ION, Ubiquitin carrier protein, Ubiquitin-conjugating enzyme E2
著者Wernimont, A.K, Lam, A, Ali, A, Brokx, S, Lin, Y.H, Zhao, Y, Lew, J, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, BOuntra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Qiu, W, Brand, V.B, Structural Genomics Consortium (SGC)
登録日2008-08-21
公開日2008-09-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a
TO BE PUBLISHED
3V01
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BU of 3v01 by Molmil
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S.
登録日2011-12-07
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
7XCL
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BU of 7xcl by Molmil
Crystal structure of trimethylamine methyltransferase MttB from Methanosarcina barkeri at 2.5 A resolution
分子名称: GLYCEROL, SODIUM ION, Trimethylamine methyltransferase
著者Li, J, Chan, M.K.
登録日2022-03-24
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XCM
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BU of 7xcm by Molmil
Crystal structure of sulfite MttB structure at 3.2 A resolution
分子名称: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ...
著者Li, J, Chan, M.K.
登録日2022-03-24
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XCN
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BU of 7xcn by Molmil
Crystal structure of the MttB-MttC complex at 2.7 A resolution
分子名称: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, GLYCEROL, Trimethylamine methyltransferase, ...
著者Li, J, Chan, M.K.
登録日2022-03-24
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
3V04
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BU of 3v04 by Molmil
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
分子名称: 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S.
登録日2011-12-07
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
5DK6
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BU of 5dk6 by Molmil
CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
分子名称: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE
著者Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2015-09-03
公開日2015-11-04
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
1LSX
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BU of 1lsx by Molmil
Crystal structure of the methylimidazole-bound BjFixL heme domain
分子名称: 1-METHYLIMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
著者Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K.
登録日2002-05-20
公開日2002-11-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based mechanism of O2 sensing and ligand discrimination by the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
1LSV
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BU of 1lsv by Molmil
Crystal structure of the CO-bound BjFixL heme domain
分子名称: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
著者Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K.
登録日2002-05-19
公開日2002-11-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based mechanism of O2 sensing and ligand discrimination by the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
1L2Q
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BU of 1l2q by Molmil
Crystal Structure of the Methanosarcina barkeri Monomethylamine Methyltransferase (MtmB)
分子名称: AMMONIUM ION, monomethylamine methyltransferase
著者Hao, B, Gong, W, Ferguson, T.K, James, C.M, Krzycki, J.A, Chan, M.K.
登録日2002-02-24
公開日2002-06-05
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A new UAG-encoded residue in the structure of a methanogen methyltransferase.
Science, 296, 2002
1LT0
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BU of 1lt0 by Molmil
Crystal structure of the CN-bound BjFixL heme domain
分子名称: CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
著者Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K.
登録日2002-05-20
公開日2002-11-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based mechanism of O2 sensing and ligand discrimination by the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
1LSW
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BU of 1lsw by Molmil
Crystal structure of the ferrous BjFixL heme domain
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
著者Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K.
登録日2002-05-20
公開日2002-11-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based mechanism of O2 sensing and ligand discrimination by the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
1NTH
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BU of 1nth by Molmil
Crystal structure of the methanosarcina barkeri monomethylamine methyltransferase (MTMB)
分子名称: Monomethylamine methyltransferase mtmB1
著者Hao, B, Gong, W, Ferguson, T.K, James, C.M, Krzycki, J.A, Chan, M.K.
登録日2003-01-30
公開日2003-02-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A new UAG-encoded residue in the structure of a methanogen methyltransferase
Science, 296, 2002

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