7ZLJ
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![BU of 7zlj by Molmil](/molmil-images/mine/7zlj) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in ternary complex with Dol25-P-C-Man and acceptor peptide, bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mao, R, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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7ZLI
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![BU of 7zli by Molmil](/molmil-images/mine/7zli) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with Dol25-P-Man and bound to CMT2-Fab and anti-Fab nanobody | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | Authors: | Bloch, J.S, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | Deposit date: | 2022-04-15 | Release date: | 2023-01-11 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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6VN7
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![BU of 6vn7 by Molmil](/molmil-images/mine/6vn7) | Cryo-EM structure of an activated VIP1 receptor-G protein complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J. | Deposit date: | 2020-01-29 | Release date: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy. Nat Commun, 11, 2020
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5MHQ
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![BU of 5mhq by Molmil](/molmil-images/mine/5mhq) | CCT068127 in complex with CDK2 | Descriptor: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol, Cyclin-dependent kinase 2 | Authors: | Whittaker, S.R, Barlow, C, Martin, M.P, Mancusi, C, Wagner, S, Barrie, E, te Poele, R, Sharp, S, Brown, N, Wilson, S, Clarke, P, Walton, M.I, MacDonald, E, Blagg, J, Noble, M.E.M, Garrett, M.D, Workman, P. | Deposit date: | 2016-11-25 | Release date: | 2017-12-20 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor. Mol Oncol, 12, 2018
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6PQB
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![BU of 6pqb by Molmil](/molmil-images/mine/6pqb) | |
4WZV
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![BU of 4wzv by Molmil](/molmil-images/mine/4wzv) | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2014-11-20 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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7BE7
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![BU of 7be7 by Molmil](/molmil-images/mine/7be7) | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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7BGP
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![BU of 7bgp by Molmil](/molmil-images/mine/7bgp) | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2021-01-08 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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7UFX
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![BU of 7ufx by Molmil](/molmil-images/mine/7ufx) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively. | Descriptor: | DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | Authors: | Ward, A.R, Shields, E.T, Snow, C.D. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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6NW0
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![BU of 6nw0 by Molmil](/molmil-images/mine/6nw0) | Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin | Descriptor: | NICKEL (II) ION, Rubredoxin | Authors: | Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S. | Deposit date: | 2019-02-05 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin Acs Catalysis, 2019
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8U46
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6GFI
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![BU of 6gfi by Molmil](/molmil-images/mine/6gfi) | Structure of Human Mesotrypsin in complex with APPI variant T11V/M17R/I18F/F34V | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, PRSS3 protein | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N, Naftaly, S. | Deposit date: | 2018-04-30 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mapping protein selectivity landscapes using multi-target selective screening and next-generation sequencing of combinatorial libraries. Nat Commun, 9, 2018
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6VZS
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![BU of 6vzs by Molmil](/molmil-images/mine/6vzs) | Engineered TTLL6 mutant bound to gamma-elongation analog | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2020-02-28 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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6Q4J
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![BU of 6q4j by Molmil](/molmil-images/mine/6q4j) | CDK2 in complex with FragLite34 | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6NK8
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![BU of 6nk8 by Molmil](/molmil-images/mine/6nk8) | C-terminal region of the Burkholderia pseudomallei OLD protein | Descriptor: | Class 2 OLD family nuclease, MAGNESIUM ION | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | Deposit date: | 2019-01-05 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage. Nucleic Acids Res., 47, 2019
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4Y8G
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![BU of 4y8g by Molmil](/molmil-images/mine/4y8g) | Yeast 20S proteasome in complex with N3-APnLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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6GXT
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![BU of 6gxt by Molmil](/molmil-images/mine/6gxt) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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8OKL
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![BU of 8okl by Molmil](/molmil-images/mine/8okl) | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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6CI9
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![BU of 6ci9 by Molmil](/molmil-images/mine/6ci9) | |
6PWN
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![BU of 6pwn by Molmil](/molmil-images/mine/6pwn) | MscS Nanodisc with N-terminal His-Tag | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, HEXADECANE, Small-conductance mechanosensitive channel | Authors: | Reddy, B.G, Perozo, E. | Deposit date: | 2019-07-23 | Release date: | 2020-01-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS. Elife, 8, 2019
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8OKK
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![BU of 8okk by Molmil](/molmil-images/mine/8okk) | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKM
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![BU of 8okm by Molmil](/molmil-images/mine/8okm) | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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6NPS
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![BU of 6nps by Molmil](/molmil-images/mine/6nps) | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | Descriptor: | AxyAgu115A, CHLORIDE ION, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | Deposit date: | 2019-01-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases. N Biotechnol, 2021
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8OKN
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![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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