6CED
 
 | | 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 | | Descriptor: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | 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) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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5KH9
 | | 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 | | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ... | | Authors: | 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) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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5KH7
 | | 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 | | Descriptor: | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | 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) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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4RGJ
 | | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | | Descriptor: | Calcium-dependent protein kinase 4 | | Authors: | 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) | | Deposit date: | 2014-09-30 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
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3HQ2
 | | BsuCP Crystal Structure | | Descriptor: | Bacillus subtilis M32 carboxypeptidase, CHLORIDE ION, FLUORIDE ION, ... | | Authors: | 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. | | Deposit date: | 2009-06-05 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insight into the substrate length restriction of M32 carboxypeptidases: Characterization of two distinct subfamilies.
Proteins, 77, 2009
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4WR2
 | | 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 | | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | | Authors: | 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) | | Deposit date: | 2014-10-22 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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5KUC
 | | Crystal structure of trypsin activated Cry6Aa | | Descriptor: | Pesticidal crystal protein Cry6Aa | | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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5KUD
 | | Crystal structure of full length Cry6Aa | | Descriptor: | Pesticidal crystal protein Cry6Aa | | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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1KA2
 | | Structure of Pyrococcus furiosus Carboxypeptidase Apo-Mg | | Descriptor: | M32 carboxypeptidase, MAGNESIUM ION | | Authors: | Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K. | | Deposit date: | 2001-10-31 | | Release date: | 2002-11-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
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3HOA
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1KA4
 | | Structure of Pyrococcus furiosus carboxypeptidase Nat-Pb | | Descriptor: | LEAD (II) ION, M32 carboxypeptidase | | Authors: | Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K. | | Deposit date: | 2001-10-31 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
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1K9X
 | | Structure of Pyrococcus furiosus carboxypeptidase Apo-Yb | | Descriptor: | M32 carboxypeptidase | | Authors: | Arndt, J.W, Hao, B, Ramakrishnan, V, Cheng, T, Chan, S.I, Chan, M.K. | | Deposit date: | 2001-10-31 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
Structure, 10, 2002
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3E95
 | | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a | | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carrier protein, Ubiquitin-conjugating enzyme E2 | | Authors: | 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) | | Deposit date: | 2008-08-21 | | Release date: | 2008-09-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a
TO BE PUBLISHED
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3V01
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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7XCL
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7XCM
 | | Crystal structure of sulfite MttB structure at 3.2 A resolution | | Descriptor: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Li, J, Chan, M.K. | | Deposit date: | 2022-03-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
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7XCN
 | | Crystal structure of the MttB-MttC complex at 2.7 A resolution | | Descriptor: | 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, GLYCEROL, Trimethylamine methyltransferase, ... | | Authors: | Li, J, Chan, M.K. | | Deposit date: | 2022-03-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
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3V04
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | 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. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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5DK6
 | | 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 | | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE | | Authors: | 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) | | Deposit date: | 2015-09-03 | | Release date: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | 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
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1LSX
 | | Crystal structure of the methylimidazole-bound BjFixL heme domain | | Descriptor: | 1-METHYLIMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | | Deposit date: | 2002-05-20 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
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1LSV
 | | Crystal structure of the CO-bound BjFixL heme domain | | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | | Deposit date: | 2002-05-19 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
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1L2Q
 | | Crystal Structure of the Methanosarcina barkeri Monomethylamine Methyltransferase (MtmB) | | Descriptor: | AMMONIUM ION, monomethylamine methyltransferase | | Authors: | Hao, B, Gong, W, Ferguson, T.K, James, C.M, Krzycki, J.A, Chan, M.K. | | Deposit date: | 2002-02-24 | | Release date: | 2002-06-05 | | Last modified: | 2014-08-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A new UAG-encoded residue in the structure of a methanogen methyltransferase.
Science, 296, 2002
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1LT0
 | | Crystal structure of the CN-bound BjFixL heme domain | | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | | Deposit date: | 2002-05-20 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
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1LSW
 | | Crystal structure of the ferrous BjFixL heme domain | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | | Deposit date: | 2002-05-20 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
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1NTH
 | | Crystal structure of the methanosarcina barkeri monomethylamine methyltransferase (MTMB) | | Descriptor: | Monomethylamine methyltransferase mtmB1 | | Authors: | Hao, B, Gong, W, Ferguson, T.K, James, C.M, Krzycki, J.A, Chan, M.K. | | Deposit date: | 2003-01-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A new UAG-encoded residue in the structure of a methanogen methyltransferase
Science, 296, 2002
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