6NDL
 
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | | 分子名称: | 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL | | 著者 | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | | 登録日 | 2018-12-13 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
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6NUL
 | | CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: N137A REDUCED (150K) | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | 著者 | Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R. | | 登録日 | 1997-01-09 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
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5DYL
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | | 分子名称: | cGMP-dependent protein kinase, putative | | 著者 | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-24 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6NFP
 | | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168 | | 分子名称: | 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ... | | 著者 | Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-12-20 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
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5DOS
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-11 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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3N6W
 | | Crystal structure of human gamma-butyrobetaine hydroxylase | | 分子名称: | Gamma-butyrobetaine dioxygenase, SULFATE ION, ZINC ION | | 著者 | Rumnieks, J, Zeltins, A, Leonchiks, A, Kazaks, A, Kotelovica, S, Tars, K. | | 登録日 | 2010-05-26 | | 公開日 | 2010-07-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of human gamma-butyrobetaine hydroxylase.
Biochem.Biophys.Res.Commun., 398, 2010
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3N08
 | | Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX | | 分子名称: | CALCIUM ION, CHLORIDE ION, Putative PhosphatidylEthanolamine-Binding Protein (PEBP) | | 著者 | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-05-13 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | 1.25 Angstrom Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX
To be Published
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5DRD
 | | Aurora A Kinase in Complex with ATP in Space Group P6122 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-15 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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6NCP
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5UUN
 | | Crystal structure of SARO_2595 from Novosphingobium aromaticivorans | | 分子名称: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase-like protein | | 著者 | Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J. | | 登録日 | 2017-02-17 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
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6NFC
 | | BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP42 fragmentantigen binding and base-binding RM20A3 fragment antigen binding | | 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, BG18-like precursor HMP42 fragment antigen binding heavy chain, ... | | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | | 登録日 | 2018-12-19 | | 公開日 | 2019-11-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
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3MTF
 | | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | | 著者 | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
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5EAI
 | | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | | 分子名称: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | 著者 | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | 登録日 | 2015-10-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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6NN8
 | | The structure of human liver pyruvate kinase, hLPYK-S531E | | 分子名称: | 1,2-ETHANEDIOL, Pyruvate kinase PKLR | | 著者 | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | | 登録日 | 2019-01-14 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.416 Å) | | 主引用文献 | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Acta Crystallogr.,Sect.F, 75, 2019
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3MY0
 | | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | | 分子名称: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | | 著者 | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2010-05-08 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
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3MTN
 | | Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor | | 分子名称: | CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ... | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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5DT3
 | | Aurora A Kinase in Complex with ATP in Space Group P6122 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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5VZI
 | | Post-catalytic complex of human Polymerase Mu (W434H) mutant with incoming dTTP | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ... | | 著者 | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | | 登録日 | 2017-05-27 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
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5DZC
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound | | 分子名称: | CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | | 著者 | Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-25 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5W0T
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5E08
 | | Specific Recognition of a Single-stranded RNA Sequence by an Engineered Synthetic Antibody Fragment | | 分子名称: | Fab Heavy Chain, Fab Light Chain, RNA | | 著者 | Huang, H, Qin, D, Li, N, Shao, Y, Staley, J.P, Kossiakoff, A.A, Koide, S, Piccirilli, J.A. | | 登録日 | 2015-09-28 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Specific Recognition of a Single-Stranded RNA Sequence by a Synthetic Antibody Fragment.
J.Mol.Biol., 428, 2016
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3N3K
 | | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | | 分子名称: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2010-05-20 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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5E13
 | | Crystal structure of Eosinophil-derived neurotoxin in complex with the triazole double-headed ribonucleoside 11c | | 分子名称: | 3'-{4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1H-1,2,3-triazol-1-yl}-3'-deoxyadenosine, Non-secretory ribonuclease | | 著者 | Chatzileontiadou, D.S.M, Stravodimos, G.A, Kantsadi, A.L, Leonidas, D.D. | | 登録日 | 2015-09-29 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Triazole double-headed ribonucleosides as inhibitors of eosinophil derived neurotoxin.
Bioorg.Chem., 63, 2015
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6NLW
 | | The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1 | | 分子名称: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Tan, K, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-01-09 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1
To Be Published
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5VCS
 | | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with Bound Acceptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ... | | 著者 | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | | 登録日 | 2017-03-31 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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