7KHO
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![BU of 7kho by Molmil](/molmil-images/mine/7kho) | NicA2 variant N462V in complex with (S)-nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Tararina, M.A, Allen, K.N. | Deposit date: | 2020-10-21 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2. Biochemistry, 60, 2021
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5KN1
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![BU of 5kn1 by Molmil](/molmil-images/mine/5kn1) | Recombinant bovine skeletal calsequestrin, high-Ca2+ form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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8PRX
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![BU of 8prx by Molmil](/molmil-images/mine/8prx) | Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-07-12 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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7EM6
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![BU of 7em6 by Molmil](/molmil-images/mine/7em6) | Crystal structure of the PI5P4Kbeta N203D-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7L2C
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![BU of 7l2c by Molmil](/molmil-images/mine/7l2c) | Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD) | Descriptor: | 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cerutti, G, Reddem, E.R, Shapiro, L. | Deposit date: | 2020-12-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite. Cell Host Microbe, 29, 2021
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3AB2
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![BU of 3ab2 by Molmil](/molmil-images/mine/3ab2) | Crystal structure of aspartate kinase from Corynebacterium glutamicum in complex with threonine | Descriptor: | Aspartokinase, THREONINE | Authors: | Yoshida, A, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2009-11-30 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Mechanism of concerted inhibition of {alpha}2{beta}2-type heterooligomeric aspartate kinase from Corynebacterium glutamicum J.Biol.Chem., 285, 2010
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2MNZ
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![BU of 2mnz by Molmil](/molmil-images/mine/2mnz) | NMR Structure of KDM5B PHD1 finger in complex with H3K4me0(1-10aa) | Descriptor: | H3K4me0, Lysine-specific demethylase 5B, ZINC ION | Authors: | Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C. | Deposit date: | 2014-04-16 | Release date: | 2014-08-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B. Protein Cell, 5, 2014
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7EM3
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![BU of 7em3 by Molmil](/molmil-images/mine/7em3) | Crystal structure of the PI5P4Kbeta-2a-ATP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7KMZ
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![BU of 7kmz by Molmil](/molmil-images/mine/7kmz) | Cryo-EM structure of double ACE2-bound SARS-CoV-2 trimer Spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-03 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7EM4
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![BU of 7em4 by Molmil](/molmil-images/mine/7em4) | Crystal structure of the PI5P4Kbeta F205L-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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2MKC
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![BU of 2mkc by Molmil](/molmil-images/mine/2mkc) | Cooperative Structure of the Heterotrimeric pre-mRNA Retention and Splicing Complex | Descriptor: | Pre-mRNA leakage protein 1, Pre-mRNA-splicing factor CWC26, U2 snRNP component IST3 | Authors: | Wysoczanski, P, Schneider, C, Xiang, S, Munari, F, Trowitzsch, S, Wahl, M.C, Luhrmann, R, Becker, S, Zweckstetter, M. | Deposit date: | 2014-02-04 | Release date: | 2014-09-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cooperative structure of the heterotrimeric pre-mRNA retention and splicing complex. Nat.Struct.Mol.Biol., 21, 2014
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5KPU
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![BU of 5kpu by Molmil](/molmil-images/mine/5kpu) | |
3IUE
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![BU of 3iue by Molmil](/molmil-images/mine/3iue) | Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid | Descriptor: | (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... | Authors: | Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C. | Deposit date: | 2009-08-31 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew.Chem.Int.Ed.Engl., 48, 2009
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7EM8
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![BU of 7em8 by Molmil](/molmil-images/mine/7em8) | Crystal structure of the PI5P4Kbeta T201M-2a-ATP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7TBM
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![BU of 7tbm by Molmil](/molmil-images/mine/7tbm) | Composite structure of the dilated human nuclear pore complex (NPC) generated with a 37A in situ cryo-ET map of CD4+ T cell NPC | Descriptor: | DDX19, NUP107 CTD, NUP107 NTD, ... | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (37 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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8Q7M
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![BU of 8q7m by Molmil](/molmil-images/mine/8q7m) | |
7EM5
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![BU of 7em5 by Molmil](/molmil-images/mine/7em5) | Crystal structure of the PI5P4Kbeta F205L-XTP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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5KS8
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![BU of 5ks8 by Molmil](/molmil-images/mine/5ks8) | |
7EM2
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![BU of 7em2 by Molmil](/molmil-images/mine/7em2) | Crystal structure of the PI5P4Kbeta-XTP complex | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7POE
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![BU of 7poe by Molmil](/molmil-images/mine/7poe) | Phosphoglycolate Phosphatase with Inhibitor CP1 | Descriptor: | 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ... | Authors: | Schloetzer, J, Fratz, S, Schindelin, H. | Deposit date: | 2021-09-08 | Release date: | 2022-12-21 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Glycolytic flux control by drugging phosphoglycolate phosphatase. Nat Commun, 13, 2022
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7EM1
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![BU of 7em1 by Molmil](/molmil-images/mine/7em1) | Crystal structure of the PI5P4Kbeta-ITP complex | Descriptor: | INOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Senda, M, Senda, T. | Deposit date: | 2021-04-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 30, 2022
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7AHP
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![BU of 7ahp by Molmil](/molmil-images/mine/7ahp) | Crystal structure of Ixodes ricinus serpin - Iripin-3 | Descriptor: | Putative salivary serpin, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | Kascakova, B, Kuta Smatanova, I, Prudnikova, T. | Deposit date: | 2020-09-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro Front Immunol, 12, 2021
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5KSW
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![BU of 5ksw by Molmil](/molmil-images/mine/5ksw) | DHODB-I74D mutant | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dihydroorotate dehydrogenase, ... | Authors: | Pompeu, Y.A, Stewart, J.D. | Deposit date: | 2016-07-10 | Release date: | 2016-08-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits To Be Published
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3A5M
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![BU of 3a5m by Molmil](/molmil-images/mine/3a5m) | Crystal Structure of a Dictyostelium P109I Mg2+-Actin in Complex with Human Gelsolin Segment 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Gelsolin, ... | Authors: | Murakami, K, Yasunaga, T, Noguchi, T.Q, Uyeda, T.Q, Wakabayashi, T. | Deposit date: | 2009-08-09 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for actin assembly, activation of ATP hydrolysis, and delayed phosphate release Cell(Cambridge,Mass.), 143, 2010
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7EIG
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![BU of 7eig by Molmil](/molmil-images/mine/7eig) | BRD4-BD1 in complex with LT-730-903 | Descriptor: | 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | BRD4-BD1 in complex with LT-730-903 To Be Published
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