6CX8
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![BU of 6cx8 by Molmil](/molmil-images/mine/6cx8) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, MANGANESE (II) ION, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-02 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions. To Be Published
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3KH0
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![BU of 3kh0 by Molmil](/molmil-images/mine/3kh0) | Crystal structure of the Ras-association (RA) domain of RALGDS | Descriptor: | Ral guanine nucleotide dissociation stimulator, UNKNOWN ATOM OR ION | Authors: | Shen, Y, Tempel, W, Wang, H, Tong, Y, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-29 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the Ras-association (RA) domain of RALGDS to be published
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3KHU
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![BU of 3khu by Molmil](/molmil-images/mine/3khu) | Crystal structure of human UDP-glucose dehydrogenase Glu161Gln, in complex with thiohemiacetal intermediate | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, UDP-glucose 6-dehydrogenase, ... | Authors: | Chaikuad, A, Egger, S, Yue, W.W, Guo, K, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-30 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Kinetic Evidence That Catalytic Reaction of Human UDP-glucose 6-Dehydrogenase Involves Covalent Thiohemiacetal and Thioester Enzyme Intermediates. J.Biol.Chem., 287, 2012
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2X2J
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![BU of 2x2j by Molmil](/molmil-images/mine/2x2j) | Crystal structure of the Gracilariopsis lemaneiformis alpha- 1,4-glucan lyase with deoxynojirimycin | Descriptor: | 1-DEOXYNOJIRIMYCIN, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ... | Authors: | Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 2010-01-13 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism. J.Biol.Chem., 288, 2013
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2X0S
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![BU of 2x0s by Molmil](/molmil-images/mine/2x0s) | |
7YK6
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![BU of 7yk6 by Molmil](/molmil-images/mine/7yk6) | Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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3EO2
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![BU of 3eo2 by Molmil](/molmil-images/mine/3eo2) | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein | Descriptor: | Neuroepithelial cell-transforming gene 1 protein, UNKNOWN ATOM OR ION | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-26 | Release date: | 2008-10-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein To be Published
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7YJ4
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![BU of 7yj4 by Molmil](/molmil-images/mine/7yj4) | Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-19 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YK7
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![BU of 7yk7 by Molmil](/molmil-images/mine/7yk7) | Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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3E7A
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![BU of 3e7a by Molmil](/molmil-images/mine/3e7a) | Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R | Descriptor: | AZIDE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Kelker, M.S, Page, R, Peti, W. | Deposit date: | 2008-08-18 | Release date: | 2008-11-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structures of protein phosphatase-1 bound to nodularin-R and tautomycin: a novel scaffold for structure-based drug design of serine/threonine phosphatase inhibitors J.Mol.Biol., 385, 2009
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7Y8K
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![BU of 7y8k by Molmil](/molmil-images/mine/7y8k) | Structure of ScIRED wild-type from Streptomyces clavuligerus | Descriptor: | Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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2WO9
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![BU of 2wo9 by Molmil](/molmil-images/mine/2wo9) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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7HBI
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![BU of 7hbi by Molmil](/molmil-images/mine/7hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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5CXX
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![BU of 5cxx by Molmil](/molmil-images/mine/5cxx) | Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in complex with Ferulic acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Gruninger, R.J, Abbott, D.W. | Deposit date: | 2015-07-29 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Contributions of a unique beta-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases. Biochem.J., 473, 2016
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2R4O
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![BU of 2r4o by Molmil](/molmil-images/mine/2r4o) | Crystal structure of the long-chain fatty acid transporter FadL mutant delta NPA | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-08-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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7Y8N
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![BU of 7y8n by Molmil](/molmil-images/mine/7y8n) | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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1GH0
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![BU of 1gh0 by Molmil](/molmil-images/mine/1gh0) | CRYSTAL STRUCTURE OF C-PHYCOCYANIN FROM SPIRULINA PLATENSIS | Descriptor: | C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN | Authors: | Liang, D.-C, Chang, W.-R, Wang, X.-Q. | Deposit date: | 2000-10-29 | Release date: | 2001-06-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of C-phycocyanin from Spirulina platensis at 2.2 A resolution: a novel monoclinic crystal form for phycobiliproteins in phycobilisomes. Acta Crystallogr.,Sect.D, 57, 2001
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2R6K
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![BU of 2r6k by Molmil](/molmil-images/mine/2r6k) | Crystal structure of an I71V hGSTA1-1 mutant in complex with S-hexylglutathione | Descriptor: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | Authors: | Dirr, H.W, Fisher, L, Burke, J.P.W.G, Sayed, M, Sewell, T. | Deposit date: | 2007-09-06 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function. Acta Crystallogr.,Sect.F, 66, 2010
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1G23
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![BU of 1g23 by Molmil](/molmil-images/mine/1g23) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). GLUCOSE-1-PHOSPHATE COMPLEX. | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-16 | Release date: | 2000-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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2R88
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![BU of 2r88 by Molmil](/molmil-images/mine/2r88) | Crystal structure of the long-chain fatty acid transporter FadL mutant delta S3 kink | Descriptor: | Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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1PVD
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![BU of 1pvd by Molmil](/molmil-images/mine/1pvd) | |
3G0B
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![BU of 3g0b by Molmil](/molmil-images/mine/3g0b) | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | Descriptor: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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4AUA
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![BU of 4aua by Molmil](/molmil-images/mine/4aua) | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | Deposit date: | 2012-05-15 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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2WOA
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![BU of 2woa by Molmil](/molmil-images/mine/2woa) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3L43
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![BU of 3l43 by Molmil](/molmil-images/mine/3l43) | Crystal structure of the dynamin 3 GTPase domain bound with GDP | Descriptor: | Dynamin-3, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | Authors: | Yang, S, Tempel, W, Tong, Y, Nedyalkova, L, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-18 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of the dynamin 3 GTPase domain bound with GDP to be published
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