6WOO
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![BU of 6woo by Molmil](/molmil-images/mine/6woo) | CryoEM structure of yeast 80S ribosome with Met-tRNAiMet, eIF5B, and GDP | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal rRNA, ... | Authors: | Wang, J, Wang, J, Puglisi, J, Fernandez, I.S. | Deposit date: | 2020-04-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | An active role of the eukaryotic large ribosomal subunit in translation initiation fidelity. To Be Published
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6YTE
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![BU of 6yte by Molmil](/molmil-images/mine/6yte) | CLK1 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTW
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![BU of 6ytw by Molmil](/molmil-images/mine/6ytw) | CLK3 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTY
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![BU of 6yty by Molmil](/molmil-images/mine/6yty) | CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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7BYO
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![BU of 7byo by Molmil](/molmil-images/mine/7byo) | Lysozyme structure SS1 from SS mode | Descriptor: | Lysozyme C | Authors: | Kang, H.S, Lee, S.J. | Deposit date: | 2020-04-24 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
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7BYP
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![BU of 7byp by Molmil](/molmil-images/mine/7byp) | Lysozyme structure SASE1 from SASE mode | Descriptor: | Lysozyme C | Authors: | Kang, H.S, Lee, S.J. | Deposit date: | 2020-04-24 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
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6YTD
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![BU of 6ytd by Molmil](/molmil-images/mine/6ytd) | CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTI
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![BU of 6yti by Molmil](/molmil-images/mine/6yti) | CLK1 bound with ETH1610 (Cpd 17) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTA
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![BU of 6yta by Molmil](/molmil-images/mine/6yta) | CLK1 bound with imidazopyridazine (Cpd 1) | Descriptor: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTG
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![BU of 6ytg by Molmil](/molmil-images/mine/6ytg) | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6WO2
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![BU of 6wo2 by Molmil](/molmil-images/mine/6wo2) | |
6WNQ
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![BU of 6wnq by Molmil](/molmil-images/mine/6wnq) | E. coli ATP Synthase State 2a | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6YSX
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![BU of 6ysx by Molmil](/molmil-images/mine/6ysx) | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-23 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) To be published
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6WNR
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![BU of 6wnr by Molmil](/molmil-images/mine/6wnr) | E. coli ATP synthase State 3b | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch. Nat Commun, 11, 2020
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6YSY
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![BU of 6ysy by Molmil](/molmil-images/mine/6ysy) | Skeletal Myosin bound to MPH-220, MgADP-VO4 | Descriptor: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A. | Deposit date: | 2020-04-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.246 Å) | Cite: | Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness. Cell, 183, 2020
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6WNY
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![BU of 6wny by Molmil](/molmil-images/mine/6wny) | Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15 | Descriptor: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION | Authors: | Whittington, D.A. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement. Bioorg.Med.Chem.Lett., 30, 2020
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6YSJ
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![BU of 6ysj by Molmil](/molmil-images/mine/6ysj) | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A. | Deposit date: | 2020-04-22 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) To be published
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6WMZ
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![BU of 6wmz by Molmil](/molmil-images/mine/6wmz) | Crystal structure of human SFPQ/NONO complex | Descriptor: | Non-POU domain-containing octamer-binding protein, SULFATE ION, Splicing factor, ... | Authors: | Lee, M, Bond, C.S. | Deposit date: | 2020-04-22 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure analysis of human SFPQ/NONO complex To Be Published
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6WNF
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![BU of 6wnf by Molmil](/molmil-images/mine/6wnf) | |
7BY9
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![BU of 7by9 by Molmil](/molmil-images/mine/7by9) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Nicotinamide Adenine Dinucleotide (NAD) | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXALOACETATE ION | Authors: | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | Deposit date: | 2020-04-22 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
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7BY8
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![BU of 7by8 by Molmil](/molmil-images/mine/7by8) | |
7BYA
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![BU of 7bya by Molmil](/molmil-images/mine/7bya) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Malate dehydrogenase, OXALOACETATE ION | Authors: | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | Deposit date: | 2020-04-22 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
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6WNJ
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6YSN
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![BU of 6ysn by Molmil](/molmil-images/mine/6ysn) | Human TRPC5 in complex with Pico145 (HC-608) | Descriptor: | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione, Maltose/maltodextrin-binding periplasmic protein,Short transient receptor potential channel 5 | Authors: | Wright, D.J, Johnson, R.M, Muench, S.P, Bon, R.S. | Deposit date: | 2020-04-22 | Release date: | 2020-12-02 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Human TRPC5 structures reveal interaction of a xanthine-based TRPC1/4/5 inhibitor with a conserved lipid binding site. Commun Biol, 3, 2020
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6WMI
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![BU of 6wmi by Molmil](/molmil-images/mine/6wmi) | ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | Authors: | Ren, R, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-21 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression. Mol.Cell, 81, 2021
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