5V7T
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![BU of 5v7t by Molmil](/molmil-images/mine/5v7t) | crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor | Descriptor: | N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14 | Authors: | saikatendu, k.s, Hirozane, M. | Deposit date: | 2017-03-20 | Release date: | 2017-05-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation. Biochem. Biophys. Res. Commun., 486, 2017
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5V3G
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![BU of 5v3g by Molmil](/molmil-images/mine/5v3g) | PRDM9-allele-C ZnF8-13 | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*CP*AP*AP*CP*GP*CP*TP*CP*AP*CP*TP*GP*GP*GP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*CP*CP*CP*CP*AP*GP*TP*GP*AP*GP*CP*GP*TP*TP*GP*CP*CP*C)-3'), PR domain zinc finger protein 9, ... | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-03-07 | Release date: | 2017-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.416 Å) | Cite: | Structural basis of human PR/SET domain 9 (PRDM9) allele C-specific recognition of its cognate DNA sequence. J. Biol. Chem., 292, 2017
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4F1Q
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![BU of 4f1q by Molmil](/molmil-images/mine/4f1q) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | Descriptor: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | Deposit date: | 2012-05-07 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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6ZQF
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![BU of 6zqf by Molmil](/molmil-images/mine/6zqf) | Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Dis-B (Poly-Ala) | Descriptor: | 18S rRNA, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | Authors: | Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R. | Deposit date: | 2020-07-09 | Release date: | 2020-09-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | 90 S pre-ribosome transformation into the primordial 40 S subunit. Science, 369, 2020
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4J6G
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![BU of 4j6g by Molmil](/molmil-images/mine/4j6g) | CRYSTAL STRUCTURE OF LIGHT AND DcR3 COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Liu, W, Zhan, C, Bonanno, J.B, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-11 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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4EWQ
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![BU of 4ewq by Molmil](/molmil-images/mine/4ewq) | Human p38 alpha MAPK in complex with a pyridazine based inhibitor | Descriptor: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | Authors: | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-27 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4E6C
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![BU of 4e6c by Molmil](/molmil-images/mine/4e6c) | p38a-perifosine Complex | Descriptor: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate, Mitogen-activated protein kinase 14 | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | Deposit date: | 2012-03-15 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
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4E8A
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![BU of 4e8a by Molmil](/molmil-images/mine/4e8a) | The crystal structure of p38a MAP kinase in complex with PIA24 | Descriptor: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | Deposit date: | 2012-03-20 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
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4EH9
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![BU of 4eh9 by Molmil](/molmil-images/mine/4eh9) | Human p38 MAP kinase in complex with NP-F11 and RL87 | Descriptor: | (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4KA3
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![BU of 4ka3 by Molmil](/molmil-images/mine/4ka3) | Structure of MAP kinase in complex with a docking peptide | Descriptor: | Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Xin, F.J, Wu, J.W. | Deposit date: | 2013-04-22 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Crystal structure of the p38 alpha MAP kinase in complex with a docking peptide from TAB1 Sci China Life Sci, 56, 2013
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7EMF
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![BU of 7emf by Molmil](/molmil-images/mine/7emf) | Human Mediator (deletion of MED1-IDR) in a Tail-extended conformation | Descriptor: | Isoform 2 of Mediator of RNA polymerase II transcription subunit 16, Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y. | Deposit date: | 2021-04-13 | Release date: | 2021-05-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex. Science, 372, 2021
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7ENJ
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![BU of 7enj by Molmil](/molmil-images/mine/7enj) | Human Mediator (deletion of MED1-IDR) in a Tail-bent conformation (MED-B) | Descriptor: | Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, ... | Authors: | Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y. | Deposit date: | 2021-04-17 | Release date: | 2021-05-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex. Science, 372, 2021
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5V7W
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![BU of 5v7w by Molmil](/molmil-images/mine/5v7w) | Crystal structure of human PARP14 bound to 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one inhibitor | Descriptor: | 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Poly [ADP-ribose] polymerase 14 | Authors: | saikatendu, k.s, Hirozane, M. | Deposit date: | 2017-03-20 | Release date: | 2017-05-10 | Last modified: | 2018-11-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation. Biochem. Biophys. Res. Commun., 486, 2017
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5UJO
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![BU of 5ujo by Molmil](/molmil-images/mine/5ujo) | |
4EH5
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![BU of 4eh5 by Molmil](/molmil-images/mine/4eh5) | Human p38 MAP kinase in complex with NP-F4 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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7CZW
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![BU of 7czw by Molmil](/molmil-images/mine/7czw) | S protein of SARS-CoV-2 in complex bound with P5A-2G7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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4EH2
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![BU of 4eh2 by Molmil](/molmil-images/mine/4eh2) | Human p38 MAP kinase in complex with NP-F1 and RL87 | Descriptor: | 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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7D03
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![BU of 7d03 by Molmil](/molmil-images/mine/7d03) | S protein of SARS-CoV-2 in complex bound with FabP5A-2G7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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1X9Q
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![BU of 1x9q by Molmil](/molmil-images/mine/1x9q) | 4m5.3 anti-fluorescein single chain antibody fragment (scFv) | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4m5.3 anti-fluorescein single chain antibody fragment, ACETATE ION | Authors: | Midelfort, K.S, Hernandez, H.H, Lippow, S.M, Tidor, B, Drennan, C.L, Wittrup, K.D. | Deposit date: | 2004-08-24 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substantial energetic improvement with minimal structural perturbation in a high affinity mutant antibody J.Mol.Biol., 343, 2004
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4E6A
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![BU of 4e6a by Molmil](/molmil-images/mine/4e6a) | p38a-PIA23 complex | Descriptor: | (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | Deposit date: | 2012-03-15 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
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4EH6
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![BU of 4eh6 by Molmil](/molmil-images/mine/4eh6) | Human p38 MAP kinase in complex with NP-F5 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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7AQQ
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![BU of 7aqq by Molmil](/molmil-images/mine/7aqq) | Cryo-EM structure of Arabidopsis thaliana Complex-I (membrane core) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | Deposit date: | 2020-10-22 | Release date: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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4KGG
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![BU of 4kgg by Molmil](/molmil-images/mine/4kgg) | Crystal structure of light mutant2 and dcr3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ... | Authors: | Liu, W, Bonanno, J.B, Zhan, C, Kumar, P.R, Toro, R, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-29 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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7AR8
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![BU of 7ar8 by Molmil](/molmil-images/mine/7ar8) | Cryo-EM structure of Arabidopsis thaliana complex-I (closed conformation) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | Authors: | Klusch, N, Kuelbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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7ARB
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![BU of 7arb by Molmil](/molmil-images/mine/7arb) | Cryo-EM structure of Arabidopsis thaliana Complex-I (complete composition) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | Authors: | Klusch, N, Kuelbrandt, W, Yildiz, O. | Deposit date: | 2020-10-23 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Plant Cell, 33, 2021
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