6EKX
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3KKQ
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![BU of 3kkq by Molmil](/molmil-images/mine/3kkq) | Crystal structure of M-Ras P40D in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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8I0E
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![BU of 8i0e by Molmil](/molmil-images/mine/8i0e) | Sb3GT1 complex with UDP | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants. Nat Commun, 14, 2023
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8HZZ
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![BU of 8hzz by Molmil](/molmil-images/mine/8hzz) | GuApiGT (UGT79B74) | Descriptor: | SULFATE ION, apiosyltransferase | Authors: | Wang, H.T, Wang, Z.L, Li, F.D, Ye, M. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants. Nat Commun, 14, 2023
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6EO0
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![BU of 6eo0 by Molmil](/molmil-images/mine/6eo0) | Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29 | Descriptor: | 1,2-ETHANEDIOL, 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | Authors: | Pannek, M, Steegborn, C. | Deposit date: | 2017-10-08 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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6ATX
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7JMV
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![BU of 7jmv by Molmil](/molmil-images/mine/7jmv) | Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis complexed with 4-nitrocatechol | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, POTASSIUM ION, ... | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-08-03 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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5LNY
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![BU of 5lny by Molmil](/molmil-images/mine/5lny) | HSP90 WITH indazole derivative | Descriptor: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | Authors: | Graedler, U, Amaral, M, Schuetz, D. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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7KD9
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![BU of 7kd9 by Molmil](/molmil-images/mine/7kd9) | Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans | Descriptor: | Gallate decarboxylase, POTASSIUM ION | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-10-08 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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2PJA
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6RZV
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![BU of 6rzv by Molmil](/molmil-images/mine/6rzv) | Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes | Descriptor: | Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | Deposit date: | 2019-06-13 | Release date: | 2019-07-24 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (20.6 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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8I0D
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![BU of 8i0d by Molmil](/molmil-images/mine/8i0d) | Sb3GT1 375S/Q377H mutant complex with UDP-Glc | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants. Nat Commun, 14, 2023
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6B18
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![BU of 6b18 by Molmil](/molmil-images/mine/6b18) | Crystal structure of PPK3 Class III in complex with inhibitor | Descriptor: | GLYCEROL, PHOSPHATE ION, PPK3 Class III, ... | Authors: | Nocek, B, Ruszkowski, M, Berlicki, L, Joachimiak, A, Yakunin, A. | Deposit date: | 2017-09-17 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases Acs Catalysis, 8, 2018
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6I59
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![BU of 6i59 by Molmil](/molmil-images/mine/6i59) | Long wavelength native-SAD phasing of Sen1 helicase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | Deposit date: | 2018-11-13 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges. Iucrj, 6, 2019
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8ETN
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5J9C
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![BU of 5j9c by Molmil](/molmil-images/mine/5j9c) | Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant | Descriptor: | MAGNESIUM ION, peroxiredoxin Asp f3 | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | Deposit date: | 2016-04-08 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus. Sci Rep, 6, 2016
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7PCK
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5TBE
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![BU of 5tbe by Molmil](/molmil-images/mine/5tbe) | Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
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5J20
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![BU of 5j20 by Molmil](/molmil-images/mine/5j20) | HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide | Descriptor: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-03-29 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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2PSO
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![BU of 2pso by Molmil](/molmil-images/mine/2pso) | Human StarD13 (DLC2) lipid transfer and protein localization domain | Descriptor: | StAR-related lipid transfer protein 13 | Authors: | Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-07 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparative structural analysis of lipid binding START domains. Plos One, 6, 2011
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2PIZ
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5LWZ
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![BU of 5lwz by Molmil](/molmil-images/mine/5lwz) | Cys-Gly dipeptidase GliJ (space group C2) | Descriptor: | Dipeptidase, FE (III) ION, GLYCEROL | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-09-19 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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5J6L
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![BU of 5j6l by Molmil](/molmil-images/mine/5j6l) | Crystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide | Descriptor: | Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-04-05 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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5J2V
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![BU of 5j2v by Molmil](/molmil-images/mine/5j2v) | Crystal Structure of Hsp90-alpha Apo N-domain | Descriptor: | Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-03-30 | Release date: | 2017-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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6BAX
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