6DEV
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![BU of 6dev by Molmil](/molmil-images/mine/6dev) | Human caspase-6 E35K | Descriptor: | Caspase-6 | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | Deposit date: | 2018-05-13 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
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6DQV
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![BU of 6dqv by Molmil](/molmil-images/mine/6dqv) | Class 2 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DSU
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![BU of 6dsu by Molmil](/molmil-images/mine/6dsu) | Bst DNA polymerase I pre-insertion complex structure | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), ... | Authors: | Chim, N, Jackson, L.N, Chaput, J.C. | Deposit date: | 2018-06-14 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of DNA polymerase I capture novel intermediates in the DNA synthesis pathway. Elife, 7, 2018
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6DW7
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![BU of 6dw7 by Molmil](/molmil-images/mine/6dw7) | SAMHD1 without Catalytic Nucleotides | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DGM
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![BU of 6dgm by Molmil](/molmil-images/mine/6dgm) | Streptococcus pyogenes phosphoglycerol transferase GacH in complex with sn-glycerol-1-phosphate | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Phosphoglycerol transferase GacH, ... | Authors: | Edgar, R.J, Korotkova, N, Korotkov, K.V. | Deposit date: | 2018-05-17 | Release date: | 2018-06-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of glycerol phosphate modification on streptococcal rhamnose polysaccharides. Nat.Chem.Biol., 15, 2019
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6DMM
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![BU of 6dmm by Molmil](/molmil-images/mine/6dmm) | Crystal structure of the G23A mutant of human alpha defensin HNP4. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-06-05 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Systematic mutational analysis of human neutrophil alpha-defensin HNP4. Biochim Biophys Acta Biomembr, 1861, 2019
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6DMY
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![BU of 6dmy by Molmil](/molmil-images/mine/6dmy) | Cryo-EM structure of human Ptch1 and ShhN complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-06-05 | Release date: | 2018-07-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for the recognition of Sonic Hedgehog by human Patched1. Science, 361, 2018
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6DMO
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![BU of 6dmo by Molmil](/molmil-images/mine/6dmo) | Cryo-EM structure of human Ptch1 with three mutations L282Q/T500F/P504L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1 | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-06-05 | Release date: | 2018-07-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for the recognition of Sonic Hedgehog by human Patched1. Science, 361, 2018
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6DQN
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![BU of 6dqn by Molmil](/molmil-images/mine/6dqn) | Class 1 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DSX
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![BU of 6dsx by Molmil](/molmil-images/mine/6dsx) | Bst DNA polymerase I post-chemistry (n+1 with dATP soak) structure | Descriptor: | DNA (5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase I, ... | Authors: | Chim, N, Jackson, L.N, Chaput, J.C. | Deposit date: | 2018-06-14 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structures of DNA polymerase I capture novel intermediates in the DNA synthesis pathway. Elife, 7, 2018
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6KE9
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![BU of 6ke9 by Molmil](/molmil-images/mine/6ke9) | The Human Telomeric Nucleosome Displays Distinct Structural and Dynamic Properties | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-K, Histone H3.1, ... | Authors: | Soman, A, Liew, C.W, Teo, H.L, Berezhnoy, N, Korolev, N, Rhodes, D, Nordenskiold, L. | Deposit date: | 2019-07-04 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The human telomeric nucleosome displays distinct structural and dynamic properties. Nucleic Acids Res., 48, 2020
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6DU6
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![BU of 6du6 by Molmil](/molmil-images/mine/6du6) | Crystal structure of the pyruvate kinase (PK1) from the mosquito Aedes aegypti | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase | Authors: | Pizarro, J.C, Scaraffia, P.Y, Petchampai, N, Murillo-Solano, C. | Deposit date: | 2018-06-19 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.513 Å) | Cite: | Distinctive regulatory properties of pyruvate kinase 1 from Aedes aegypti mosquitoes. Insect Biochem. Mol. Biol., 104, 2018
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6DO5
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![BU of 6do5 by Molmil](/molmil-images/mine/6do5) | KLHDC2 ubiquitin ligase in complex with USP1 C-end degron | Descriptor: | Kelch domain-containing protein 2, USP1 C-END DEGRON | Authors: | Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N. | Deposit date: | 2018-06-08 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase. Mol. Cell, 72, 2018
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6DR0
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![BU of 6dr0 by Molmil](/molmil-images/mine/6dr0) | Class 5 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2018-08-15 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DW3
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![BU of 6dw3 by Molmil](/molmil-images/mine/6dw3) | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DRC
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![BU of 6drc by Molmil](/molmil-images/mine/6drc) | High IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ... | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DQ3
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![BU of 6dq3 by Molmil](/molmil-images/mine/6dq3) | Streptococcus pyogenes deacetylase PplD in complex with acetate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ... | Authors: | Li, J, Korotkova, N, Korotkov, K.V. | Deposit date: | 2018-06-10 | Release date: | 2019-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | PplD is a de-N-acetylase of the cell wall linkage unit of streptococcal rhamnopolysaccharides Nat Commun, 13, 2022
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6DQS
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![BU of 6dqs by Molmil](/molmil-images/mine/6dqs) | Class 3 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DUV
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![BU of 6duv by Molmil](/molmil-images/mine/6duv) | Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Babault, N, Zhou, M.M. | Deposit date: | 2018-06-22 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains To be published
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6DQZ
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![BU of 6dqz by Molmil](/molmil-images/mine/6dqz) | Class 4 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | Authors: | Hite, R.K, Paknejad, N. | Deposit date: | 2018-06-11 | Release date: | 2018-08-01 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (6.01 Å) | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3. Nat. Struct. Mol. Biol., 25, 2018
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6DXK
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![BU of 6dxk by Molmil](/molmil-images/mine/6dxk) | Glucocorticoid Receptor in complex with Compound 11 | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | Deposit date: | 2018-06-29 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J. Med. Chem., 61, 2018
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6DUY
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![BU of 6duy by Molmil](/molmil-images/mine/6duy) | |
6DW5
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![BU of 6dw5 by Molmil](/molmil-images/mine/6dw5) | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1YCD
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![BU of 1ycd by Molmil](/molmil-images/mine/1ycd) | Crystal structure of yeast FSH1/YHR049W, a member of the serine hydrolase family | Descriptor: | 2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE, Hypothetical 27.3 kDa protein in AAP1-SMF2 intergenic region | Authors: | Leulliot, N, Graille, M, Coste, F, Quevillon-Cheruel, S, Janin, J, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2004-12-22 | Release date: | 2005-05-10 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of yeast YHR049W/FSH1, a member of the serine hydrolase family. Protein Sci., 14, 2005
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6E15
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![BU of 6e15 by Molmil](/molmil-images/mine/6e15) | Handover mechanism of the growing pilus by the bacterial outer membrane usher FimD | Descriptor: | Chaperone protein FimC, Fimbrial biogenesis outer membrane usher protein, Protein FimF, ... | Authors: | Du, M, Yuan, Z, Yu, H, Henderson, N, Sarowar, S, Zhao, G, Werneburg, G.T, Thanassi, D.G, Li, H. | Deposit date: | 2018-07-09 | Release date: | 2018-10-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Handover mechanism of the growing pilus by the bacterial outer-membrane usher FimD. Nature, 562, 2018
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