6FLH
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![BU of 6flh by Molmil](/molmil-images/mine/6flh) | Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form | Descriptor: | GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Yang, F, Logan, D, Oliveberg, M. | Deposit date: | 2018-01-25 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1. J.Am.Chem.Soc., 140, 2018
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8HKP
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![BU of 8hkp by Molmil](/molmil-images/mine/8hkp) | Structurally hetero-junctional human Cx36/GJD2 gap junction channel in detergents (C6 symmetry) | Descriptor: | Gap junction delta-2 protein, Lauryl Maltose Neopentyl Glycol | Authors: | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | Deposit date: | 2022-11-27 | Release date: | 2023-03-22 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel. Nat Commun, 14, 2023
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8HNZ
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![BU of 8hnz by Molmil](/molmil-images/mine/8hnz) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HTA
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6FA0
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8HO0
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![BU of 8ho0 by Molmil](/molmil-images/mine/8ho0) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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6FAX
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![BU of 6fax by Molmil](/molmil-images/mine/6fax) | Complex of Human CD40 Ectodomain with Lob 7.4 Fab | Descriptor: | Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5 | Authors: | Orr, C.M, Tews, I, Pearson, A.R. | Deposit date: | 2017-12-18 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies. Cancer Cell, 33, 2018
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8HO1
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![BU of 8ho1 by Molmil](/molmil-images/mine/8ho1) | Crystal structure of cytochrome P450 NasF5053 mutant F387G | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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6F9X
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6FA1
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![BU of 6fa1 by Molmil](/molmil-images/mine/6fa1) | Antibody derived (Abd-4) small molecule binding to KRAS. | Descriptor: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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6FCK
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![BU of 6fck by Molmil](/molmil-images/mine/6fck) | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | Descriptor: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Read, J.A, Breed, J. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
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8H9H
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![BU of 8h9h by Molmil](/molmil-images/mine/8h9h) | Crystal structure of ZBTB7A in complex with GACCC-containing sequence | Descriptor: | DNA (5'-D(*TP*AP*AP*GP*GP*AP*CP*CP*CP*AP*GP*AP*T)-3'), DNA (5'-D(P*AP*AP*TP*CP*TP*GP*GP*GP*TP*CP*CP*TP*T)-3'), ZINC ION, ... | Authors: | Yang, Y. | Deposit date: | 2022-10-25 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ZBTB7A regulates primed-to-naive transition of pluripotent stem cells via recognition of the PNT-associated sequence by zinc fingers 1-2 and recognition of gamma-globin -200 gene element by zinc fingers 1-4. Febs J., 290, 2023
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8HKJ
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![BU of 8hkj by Molmil](/molmil-images/mine/8hkj) | Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O. | Deposit date: | 2022-11-27 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily. J.Inorg.Biochem., 245, 2023
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8HNY
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![BU of 8hny by Molmil](/molmil-images/mine/8hny) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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6FLE
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6FIV
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![BU of 6fiv by Molmil](/molmil-images/mine/6fiv) | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | Descriptor: | RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | Deposit date: | 1998-12-02 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
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6FJ0
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6FC8
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![BU of 6fc8 by Molmil](/molmil-images/mine/6fc8) | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | Descriptor: | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Read, J.A, Breed, J. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
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6FD3
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![BU of 6fd3 by Molmil](/molmil-images/mine/6fd3) | Thiophosphorylated PAK3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis. Biochem.J., 476, 2019
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6FGP
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6FHB
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6FID
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![BU of 6fid by Molmil](/molmil-images/mine/6fid) | Bovine trypsin solved by S-SAD on ID30B | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | McCarthy, A.A, Mueller-Dieckmann, C. | Deposit date: | 2018-01-18 | Release date: | 2018-02-07 | Last modified: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF. J Synchrotron Radiat, 25, 2018
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6FJS
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![BU of 6fjs by Molmil](/molmil-images/mine/6fjs) | Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C. | Deposit date: | 2018-01-23 | Release date: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography. IUCrJ, 5, 2018
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6FFK
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![BU of 6ffk by Molmil](/molmil-images/mine/6ffk) | Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH | Descriptor: | PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn] | Authors: | Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L. | Deposit date: | 2018-01-08 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity. ACS Med Chem Lett, 9, 2018
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6FGY
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![BU of 6fgy by Molmil](/molmil-images/mine/6fgy) | Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4 | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | Authors: | Rondeau, J.-M, Bourgier, E. | Deposit date: | 2018-01-11 | Release date: | 2018-06-06 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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