2N8H
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6UXU
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8EL1
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![BU of 8el1 by Molmil](/molmil-images/mine/8el1) | Structure of MBP-Mcl-1 in complex with ABBV-467 | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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2MPT
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![BU of 2mpt by Molmil](/molmil-images/mine/2mpt) | WW3 domain of Nedd4L in complex with its HECT domain PY motif | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like | Authors: | Escobedo, A, Macias, M.J, Gomes, T, Aragon, E, Martin-Malpartida, P, Ruiz, L. | Deposit date: | 2014-06-02 | Release date: | 2014-10-22 | Method: | SOLUTION NMR | Cite: | Structural Basis of the Activation and Degradation Mechanisms of the E3 Ubiquitin Ligase Nedd4L. Structure, 22, 2014
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6UZ0
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![BU of 6uz0 by Molmil](/molmil-images/mine/6uz0) | Cardiac sodium channel with flecainide | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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6SHJ
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![BU of 6shj by Molmil](/molmil-images/mine/6shj) | Escherichia coli AGPase in complex with FBP. Symmetry applied C2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-08-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM. Curr Res Struct Biol, 2, 2020
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5UEN
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![BU of 5uen by Molmil](/molmil-images/mine/5uen) | Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution | Descriptor: | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride, Adenosine receptor A1,Soluble cytochrome b562,Adenosine receptor A1, OLEIC ACID | Authors: | Glukhova, A, Thal, D.M, Nguyen, A.T, Vecchio, E.A, Jorg, M, Scammells, P.J, May, L.T, Sexton, P.M, Christopoulos, A. | Deposit date: | 2017-01-03 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity. Cell, 168, 2017
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6V35
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![BU of 6v35 by Molmil](/molmil-images/mine/6v35) | Cryo-EM structure of Ca2+-free hsSlo1-beta4 channel complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Tao, X, MacKinnon, R. | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular structures of the human Slo1 K + channel in complex with beta 4. Elife, 8, 2019
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2MTV
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![BU of 2mtv by Molmil](/molmil-images/mine/2mtv) | Solution Structure of the YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA | Descriptor: | RNA_(5'-R(*UP*GP*(6MZ)P*CP*AP*C)-3'), YTH domain-containing protein 1 | Authors: | Theler, D, Dominguez, C, Blatter, M, Boudet, J, Allain, F.H.-T. | Deposit date: | 2014-09-01 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the YTH domain in complex with N6-methyladenosine RNA: a reader of methylated RNA. Nucleic Acids Res., 42, 2014
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2N02
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![BU of 2n02 by Molmil](/molmil-images/mine/2n02) | Solution structure of the A147T variant of the mitochondrial translocator protein (tspo) in complex with pk11195 | Descriptor: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein | Authors: | Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Integrity of the A147T Polymorph of Mammalian TSPO. Chembiochem, 16, 2015
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4AIG
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![BU of 4aig by Molmil](/molmil-images/mine/4aig) | ADAMALYSIN II WITH PHOSPHONATE INHIBITOR | Descriptor: | ADAMALYSIN II, CALCIUM ION, N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-PHOSPHONIC ACID, ... | Authors: | Pochetti, G, Mazza, F, Gavuzzo, E, Cirilli, M. | Deposit date: | 1997-10-16 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2 angstrom X-ray structure of adamalysin II complexed with a peptide phosphonate inhibitor adopting a retro-binding mode. FEBS Lett., 418, 1997
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5UHW
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![BU of 5uhw by Molmil](/molmil-images/mine/5uhw) | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase protein | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2017-01-12 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium To be published
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6V74
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![BU of 6v74 by Molmil](/molmil-images/mine/6v74) | Crystal Structure of Human PKM2 in Complex with L-asparagine | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARAGINE, CHLORIDE ION, ... | Authors: | Nandi, S, Dey, M. | Deposit date: | 2019-12-07 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2. J.Biol.Chem., 295, 2020
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6V81
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![BU of 6v81 by Molmil](/molmil-images/mine/6v81) | The crystal structure of the outer-membrane transporter YncD | Descriptor: | CALCIUM ION, Probable TonB-dependent receptor YncD, octyl beta-D-glucopyranoside | Authors: | Grinter, R. | Deposit date: | 2019-12-10 | Release date: | 2020-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.957 Å) | Cite: | The crystal structure of the TonB-dependent transporter YncD reveals a positively charged substrate-binding site. Acta Crystallogr D Struct Biol, 76, 2020
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5UHZ
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![BU of 5uhz by Molmil](/molmil-images/mine/5uhz) | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium | Descriptor: | (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2017-01-12 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium To be published
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6SNI
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![BU of 6sni by Molmil](/molmil-images/mine/6sni) | Cryo-EM structure of nanodisc reconstituted yeast ALG6 in complex with 6AG9 Fab | Descriptor: | 6AG9-Fab heavy chain, 6AG9-Fab light chain, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | Deposit date: | 2019-08-24 | Release date: | 2020-03-11 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6. Nature, 579, 2020
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6V3D
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6V8N
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6SOJ
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![BU of 6soj by Molmil](/molmil-images/mine/6soj) | BamABCDE in MSP1D1 nanodisc ensemble 1-8 | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P. | Deposit date: | 2019-08-29 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | BamABCDE in MSP1D1 nanodisc ensemble 1-8 To Be Published
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6SGW
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![BU of 6sgw by Molmil](/molmil-images/mine/6sgw) | Structure of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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8EKX
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![BU of 8ekx by Molmil](/molmil-images/mine/8ekx) | Structure of MBP-Mcl-1 in complex with MIK665 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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6VAJ
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![BU of 6vaj by Molmil](/molmil-images/mine/6vaj) | Crystal Structure Analysis of human PIN1 | Descriptor: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-12-17 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo. Nat.Chem.Biol., 17, 2021
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6SJG
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![BU of 6sjg by Molmil](/molmil-images/mine/6sjg) | Cryo-EM structure of the RecBCD no Chi negative control complex | Descriptor: | Forked DNA substrate, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | Authors: | Cheng, K, Wilkinson, M, Wigley, D.B. | Deposit date: | 2019-08-13 | Release date: | 2020-01-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A conformational switch in response to Chi converts RecBCD from phage destruction to DNA repair. Nat.Struct.Mol.Biol., 27, 2020
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2N0F
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![BU of 2n0f by Molmil](/molmil-images/mine/2n0f) | NMR structure of Neuromedin C in 60% TFE | Descriptor: | Neuromedin C (NMC) | Authors: | Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism. RSC ADV, 5, 2015
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6SKJ
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![BU of 6skj by Molmil](/molmil-images/mine/6skj) | DeltaC2 C-terminal truncation of HsNMT1 in complex with MyrCoA and GNCFSKPR substrates | Descriptor: | Apoptosis-inducing factor 3, COENZYME A, GLYCEROL, ... | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | Deposit date: | 2019-08-15 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
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