7P3C
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![BU of 7p3c by Molmil](/molmil-images/mine/7p3c) | EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3G
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![BU of 7p3g by Molmil](/molmil-images/mine/7p3g) | EED in complex with compound 4 | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2021-07-07 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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6MN7
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![BU of 6mn7 by Molmil](/molmil-images/mine/6mn7) | Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BF520.1 Fab variable region, ... | Authors: | Williams, J.A, Lee, K.K, Overbaugh, J. | Deposit date: | 2018-10-01 | Release date: | 2019-03-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage. Nat Commun, 10, 2019
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6MS3
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![BU of 6ms3 by Molmil](/molmil-images/mine/6ms3) | Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis | Descriptor: | CALCIUM ION, GLYCEROL, Glycoside Hydrolase Family 43, ... | Authors: | Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T. | Deposit date: | 2018-10-16 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43. Biotechnol. Bioeng., 116, 2019
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7OH4
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![BU of 7oh4 by Molmil](/molmil-images/mine/7oh4) | Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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7OH7
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![BU of 7oh7 by Molmil](/molmil-images/mine/7oh7) | Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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7OH6
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![BU of 7oh6 by Molmil](/molmil-images/mine/7oh6) | Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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6ND7
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![BU of 6nd7 by Molmil](/molmil-images/mine/6nd7) | The crystal structure of TerB co-crystallized with polyporic acid | Descriptor: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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6NJS
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![BU of 6njs by Molmil](/molmil-images/mine/6njs) | Stat3 Core in complex with compound SD36 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-01-04 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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7OH5
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![BU of 7oh5 by Molmil](/molmil-images/mine/7oh5) | Cryo-EM structure of Drs2p-Cdc50p in the E1-AlFx-ADP state | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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6NNC
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![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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7PAG
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![BU of 7pag by Molmil](/molmil-images/mine/7pag) | The pore conformation of lymphocyte perforin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Perforin-1 | Authors: | Ivanova, M.E, Lukoyanova, N, Malhotra, S, Topf, M, Trapani, J.A, Voskoboinik, I, Saibil, H.R. | Deposit date: | 2021-07-29 | Release date: | 2022-02-16 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The pore conformation of lymphocyte perforin. Sci Adv, 8, 2022
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6NTB
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![BU of 6ntb by Molmil](/molmil-images/mine/6ntb) | |
6MCD
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![BU of 6mcd by Molmil](/molmil-images/mine/6mcd) | Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide | Descriptor: | LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION | Authors: | Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2018-08-31 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy. Nat.Chem., 12, 2020
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6MG9
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3N5F
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![BU of 3n5f by Molmil](/molmil-images/mine/3n5f) | Crystal Structure of L-N-carbamoylase from Geobacillus stearothermophilus CECT43 | Descriptor: | CACODYLATE ION, COBALT (II) ION, ISOPROPYL ALCOHOL, ... | Authors: | Garcia-Pino, A, Martinez-Rodriguez, S, Gavira, J.A. | Deposit date: | 2010-05-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mutational and structural analysis of L-N-carbamoylase reveals new insights into a peptidase m20/m25/m40 family member. J.Bacteriol., 194, 2012
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3NOD
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![BU of 3nod by Molmil](/molmil-images/mine/3nod) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1998-03-06 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
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5UM9
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![BU of 5um9 by Molmil](/molmil-images/mine/5um9) | Flap endonuclease 1 (FEN1) D86N with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2017-01-26 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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3Q8M
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![BU of 3q8m by Molmil](/molmil-images/mine/3q8m) | Crystal Structure of Human Flap Endonuclease FEN1 (D181A) in complex with substrate 5'-flap DNA and K+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | Deposit date: | 2011-01-06 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily. Cell(Cambridge,Mass.), 145, 2011
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6M9I
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![BU of 6m9i by Molmil](/molmil-images/mine/6m9i) | L-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | Descriptor: | Ice nucleation protein | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | Deposit date: | 2018-08-23 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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6NY3
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![BU of 6ny3 by Molmil](/molmil-images/mine/6ny3) | CasX ternary complex with 30bp target DNA | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2019-12-25 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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6NNH
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![BU of 6nnh by Molmil](/molmil-images/mine/6nnh) | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6O12
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![BU of 6o12 by Molmil](/molmil-images/mine/6o12) | E. coli cysteine desulfurase SufS H123A | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Frantom, P.A. | Deposit date: | 2019-02-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues. J.Biol.Chem., 294, 2019
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6NUQ
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![BU of 6nuq by Molmil](/molmil-images/mine/6nuq) | Stat3 Core in complex with compound SI109 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-02-01 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6MR2
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![BU of 6mr2 by Molmil](/molmil-images/mine/6mr2) | |