5EPI
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3GVX
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6AKH
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![BU of 6akh by Molmil](/molmil-images/mine/6akh) | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Adenine and Incoming Mn-dUMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-08-31 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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6EKK
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![BU of 6ekk by Molmil](/molmil-images/mine/6ekk) | Crystal structure of GEF domain of DENND 1A in complex with Rab GTPase Rab35-GDP bound state. | Descriptor: | 1,2-ETHANEDIOL, DENN domain-containing protein 1A, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Srikannathasan, V, Szykowska, A, Tallant, C, Strain-Damerell, C, Kopec, J, Kupinska, K, Mukhopadhyay, S, Gavin, M, Wang, D, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Huber, K. | Deposit date: | 2017-09-26 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of DENND1A-RAB35 complex with GDP bound state. To be published
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6R0V
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6ELN
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![BU of 6eln by Molmil](/molmil-images/mine/6eln) | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | Deposit date: | 2017-09-29 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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6R0U
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![BU of 6r0u by Molmil](/molmil-images/mine/6r0u) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5a and hydrolysis product | Descriptor: | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid, 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R0S
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![BU of 6r0s by Molmil](/molmil-images/mine/6r0s) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 4a and hydrolysis product | Descriptor: | 2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione, 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid, CEREBLON ISOFORM 4, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R11
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![BU of 6r11 by Molmil](/molmil-images/mine/6r11) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b | Descriptor: | 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ... | Authors: | Heim, C, Hartmann, M.D. | Deposit date: | 2019-03-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
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6R13
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6R12
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2QNC
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![BU of 2qnc by Molmil](/molmil-images/mine/2qnc) | Crystal structure of T4 Endonuclease VII N62D mutant in complex with a DNA Holliday junction | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*DAP*DGP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DG)-3'), DNA (5'-D(*DCP*DAP*DCP*DAP*DTP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DCP*DT)-3'), ... | Authors: | Biertumpfel, C, Yang, W, Suck, D. | Deposit date: | 2007-07-18 | Release date: | 2008-01-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of T4 endonuclease VII resolving a Holliday junction. Nature, 449, 2007
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4XC4
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![BU of 4xc4 by Molmil](/molmil-images/mine/4xc4) | Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide | Descriptor: | CHLORIDE ION, Insulin, SODIUM ION, ... | Authors: | Bracey, A.W, Magis, A.T, Buschard, K, Osterbye, T, Bailey, K.M, Ostrov, D.A. | Deposit date: | 2014-12-17 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide To Be Published
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7OVV
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![BU of 7ovv by Molmil](/molmil-images/mine/7ovv) | Crystal structure of the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 | Descriptor: | Probable acetyltransferase NATA1-like, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Authors: | Layer, D, Kopp, J, Sinning, I. | Deposit date: | 2021-06-15 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 To Be Published
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5LPV
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3HBR
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![BU of 3hbr by Molmil](/molmil-images/mine/3hbr) | Crystal structure of OXA-48 beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, OXA-48 | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D. | Deposit date: | 2009-05-05 | Release date: | 2009-06-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases. Chem.Biol., 16, 2009
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8T1Y
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6R18
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6R19
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6R1A
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6RB6
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![BU of 6rb6 by Molmil](/molmil-images/mine/6rb6) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-09 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5ING
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![BU of 5ing by Molmil](/molmil-images/mine/5ing) | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit | Descriptor: | Putative carboxyl transferase | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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6E71
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![BU of 6e71 by Molmil](/molmil-images/mine/6e71) | Structure of Human Transthyretin Val30Met/Thr119Met Mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Transthyretin | Authors: | Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Variants of Transthyretin To Be Published
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6WGO
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![BU of 6wgo by Molmil](/molmil-images/mine/6wgo) | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | Descriptor: | ACETATE ION, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2020-04-06 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules. Inorg.Chem., 60, 2021
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7XVL
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![BU of 7xvl by Molmil](/molmil-images/mine/7xvl) | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment) | Descriptor: | DNA (169-MER), Histone H1.0, Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.506 Å) | Cite: | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment) To Be Published
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