5LRY
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![BU of 5lry by Molmil](/molmil-images/mine/5lry) | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-22 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J.Am.Chem.Soc., 140, 2018
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6OWW
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![BU of 6oww by Molmil](/molmil-images/mine/6oww) | Crystal structure of a Human Cardiac Calsequestrin Filament Complexed with Ytterbium | Descriptor: | Calsequestrin-2, SULFATE ION, YTTERBIUM (III) ION | Authors: | Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C. | Deposit date: | 2019-05-12 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.84 Å) | Cite: | The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia. Nat.Struct.Mol.Biol., 27, 2020
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4UJ6
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![BU of 4uj6 by Molmil](/molmil-images/mine/4uj6) | Structure of surface layer protein SbsC, domains 1-6 | Descriptor: | SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2015-04-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of Surface Layer Protein Sbsc, Domains 1-6 To be Published
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5M4S
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![BU of 5m4s by Molmil](/molmil-images/mine/5m4s) | Transcription factor TFIIA as a single chain protein | Descriptor: | Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1 | Authors: | Kandiah, E, Gupta, K. | Deposit date: | 2016-10-19 | Release date: | 2017-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID. Elife, 6, 2017
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4UHY
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![BU of 4uhy by Molmil](/molmil-images/mine/4uhy) | Crystal structure of the human RGMA-BMP2 complex | Descriptor: | BONE MORPHOGENETIC PROTEIN 2, REPULSIVE GUIDANCE MOLECULE A | Authors: | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
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7N9X
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![BU of 7n9x by Molmil](/molmil-images/mine/7n9x) | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions | Descriptor: | Capsid protein, Nanobody, Peptidyl-prolyl cis-trans isomerase A | Authors: | Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.511 Å) | Cite: | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions To Be Published
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7AJF
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![BU of 7ajf by Molmil](/molmil-images/mine/7ajf) | bovine ATP synthase dimer state2:state2 | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-09-29 | Release date: | 2021-02-03 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (8.45 Å) | Cite: | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes. Proc.Natl.Acad.Sci.USA, 118, 2021
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6YM0
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![BU of 6ym0 by Molmil](/molmil-images/mine/6ym0) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | Descriptor: | Spike glycoprotein, heavy chain, light chain | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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7Q3P
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![BU of 7q3p by Molmil](/molmil-images/mine/7q3p) | Crystal structure of IgG1-Fc-MST-HN (efgartigimod) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pannecoucke, E, Savvides, S.N. | Deposit date: | 2021-10-28 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement. Nat Commun, 13, 2022
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6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/6s4e) | Structure of human MTHFD2 in complex with TH7299 | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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4UCT
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![BU of 4uct by Molmil](/molmil-images/mine/4uct) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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7SN4
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1B72
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![BU of 1b72 by Molmil](/molmil-images/mine/1b72) | PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX | Descriptor: | DNA (5'-D(*AP*CP*TP*CP*TP*AP*TP*GP*AP*TP*TP*GP*AP*TP*CP*GP*GP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*CP*GP*AP*TP*CP*AP*AP*TP*CP*AP*TP*AP*GP*AP*G)-3'), PROTEIN (HOMEOBOX PROTEIN HOX-B1), ... | Authors: | Piper, D.E, Batchelor, A.H, Chang, C.-P, Cleary, M.L, Wolberger, C. | Deposit date: | 1999-01-27 | Release date: | 1999-02-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of a HoxB1-Pbx1 heterodimer bound to DNA: role of the hexapeptide and a fourth homeodomain helix in complex formation. Cell(Cambridge,Mass.), 96, 1999
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7AVY
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![BU of 7avy by Molmil](/molmil-images/mine/7avy) | MerTK kinase domain in complex with quinazoline-based inhbitor | Descriptor: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7SN7
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![BU of 7sn7 by Molmil](/molmil-images/mine/7sn7) | |
4UCV
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![BU of 4ucv by Molmil](/molmil-images/mine/4ucv) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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7SN9
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7AVX
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![BU of 7avx by Molmil](/molmil-images/mine/7avx) | MerTK kinase domain in complex with NPS-1034 | Descriptor: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7NTH
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![BU of 7nth by Molmil](/molmil-images/mine/7nth) | Structure of TAK1 in complex with compound 54 | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7AW4
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![BU of 7aw4 by Molmil](/molmil-images/mine/7aw4) | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7NTI
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![BU of 7nti by Molmil](/molmil-images/mine/7nti) | Structure of TAK1 in complex with compound 22 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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5MH3
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4UMV
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![BU of 4umv by Molmil](/molmil-images/mine/4umv) | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | Deposit date: | 2014-05-21 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature, 514, 2014
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6UXN
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![BU of 6uxn by Molmil](/molmil-images/mine/6uxn) | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | Descriptor: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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