7RUJ
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![BU of 7ruj by Molmil](/molmil-images/mine/7ruj) | E. coli cysteine desulfurase SufS N99A | 分子名称: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Dunkle, J.A, Gogar, R, Frantom, P.A. | 登録日 | 2021-08-17 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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7RW3
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![BU of 7rw3 by Molmil](/molmil-images/mine/7rw3) | E. coli cysteine desulfurase SufS N99D | 分子名称: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Dunkle, J.A, Gogar, R, Frantom, P.A. | 登録日 | 2021-08-19 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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5CYI
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![BU of 5cyi by Molmil](/molmil-images/mine/5cyi) | CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | 分子名称: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | 著者 | Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J. | 登録日 | 2015-07-30 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem.Biol., 22, 2015
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1YT7
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![BU of 1yt7 by Molmil](/molmil-images/mine/1yt7) | Cathepsin K complexed with a constrained ketoamide inhibitor | 分子名称: | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION | 著者 | Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q. | 登録日 | 2005-02-10 | 公開日 | 2005-07-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
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4R8N
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![BU of 4r8n by Molmil](/molmil-images/mine/4r8n) | Crystal structure of Staphylococcal nuclease variant V23I/V66I/I72V/I92V at cryogenic temperature | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | 著者 | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | 登録日 | 2014-09-02 | 公開日 | 2014-09-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Cavities in proteins To be Published
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5CYL
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![BU of 5cyl by Molmil](/molmil-images/mine/5cyl) | |
8ADW
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![BU of 8adw by Molmil](/molmil-images/mine/8adw) | Lipidic alpha-synuclein fibril - polymorph L1C | 分子名称: | Alpha-synuclein | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | 登録日 | 2022-07-11 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADU
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![BU of 8adu by Molmil](/molmil-images/mine/8adu) | Lipidic alpha-synuclein fibril - polymorph L1A | 分子名称: | Alpha-synuclein | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | 登録日 | 2022-07-11 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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4QRZ
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![BU of 4qrz by Molmil](/molmil-images/mine/4qrz) | Crystal structure of sugar transporter atu4361 from agrobacterium fabrum c58, target efi-510558, with bound maltotriose | 分子名称: | ABC-TYPE SUGAR TRANSPORTER, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-07-02 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal Structure of Maltoside Transporter from Agrobacterium Radiobacter, Target Efi-510558 To be Published
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4QSD
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![BU of 4qsd by Molmil](/molmil-images/mine/4qsd) | Crystal structure of atu4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound sucrose | 分子名称: | ABC-TYPE SUGAR TRANSPORTER, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-07-03 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558 To be Published
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8AEX
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![BU of 8aex by Molmil](/molmil-images/mine/8aex) | Lipidic alpha-synuclein fibril - polymorph L3A | 分子名称: | Alpha-synuclein | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | 登録日 | 2022-07-14 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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4QTG
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![BU of 4qtg by Molmil](/molmil-images/mine/4qtg) | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE | 分子名称: | 5-CARBOXYVANILLATE DECARBOXYLASE, GLYCEROL, MANGANESE (II) ION | 著者 | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | 登録日 | 2014-07-07 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 from Novosphingobium Aromaticivorans To be Published
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5D5L
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![BU of 5d5l by Molmil](/molmil-images/mine/5d5l) | |
8ADV
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![BU of 8adv by Molmil](/molmil-images/mine/8adv) | Lipidic alpha-synuclein fibril - polymorph L1B | 分子名称: | Alpha-synuclein | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | 登録日 | 2022-07-11 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADS
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![BU of 8ads by Molmil](/molmil-images/mine/8ads) | Lipidic alpha-synuclein fibril - polymorph L2B | 分子名称: | Alpha-synuclein | 著者 | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | 登録日 | 2022-07-11 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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4J1Y
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![BU of 4j1y by Molmil](/molmil-images/mine/4j1y) | The X-ray crystal structure of human complement protease C1s zymogen | 分子名称: | Complement C1s subcomponent | 著者 | Perry, A.J, Wijeyewickrema, L.C, Wilmann, P.G, Gunzburg, M.J, D'Andrea, L, Irving, J.A, Pang, S.S, Duncan, R.C, Wilce, J.A, Whisstock, J.C, Pike, R.N. | 登録日 | 2013-02-03 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6645 Å) | 主引用文献 | A Molecular Switch Governs the Interaction between the Human Complement Protease C1s and Its Substrate, Complement C4. J.Biol.Chem., 288, 2013
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5DID
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![BU of 5did by Molmil](/molmil-images/mine/5did) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | 分子名称: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-08-31 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5D6Q
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![BU of 5d6q by Molmil](/molmil-images/mine/5d6q) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-12 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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7AJZ
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![BU of 7ajz by Molmil](/molmil-images/mine/7ajz) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) | 分子名称: | 1,2-ETHANEDIOL, L,D-transpeptidase YcbB, NAG-NAM(tetrapeptide), ... | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) To Be Published
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7AGZ
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![BU of 7agz by Molmil](/molmil-images/mine/7agz) | BsrV no-histagged | 分子名称: | Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ... | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A. | 登録日 | 2020-09-23 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity. Comput Struct Biotechnol J, 19, 2021
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7AJO
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![BU of 7ajo by Molmil](/molmil-images/mine/7ajo) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate | 分子名称: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate To Be Published
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4R2B
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![BU of 4r2b by Molmil](/molmil-images/mine/4r2b) | Crystal structure of sugar transporter Oant_3817 from Ochrobactrum anthropi, target EFI-510528, with bound glucose | 分子名称: | Extracellular solute-binding protein family 1, alpha-D-glucopyranose | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-08-11 | 公開日 | 2014-08-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal Structure of Glucose Transporter Oant_3817 from Ochrobactrum Anthropi, Target EFI-510528 To be Published
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7AJX
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![BU of 7ajx by Molmil](/molmil-images/mine/7ajx) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem | 分子名称: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem To Be Published
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7AJ9
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![BU of 7aj9 by Molmil](/molmil-images/mine/7aj9) | |
5DI7
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![BU of 5di7 by Molmil](/molmil-images/mine/5di7) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | 分子名称: | (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-08-31 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.241 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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