6G75
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![BU of 6g75 by Molmil](/molmil-images/mine/6g75) | Crystal structure of the common ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Common ancestor of haloalkane dehalogenase and Renilla luciferase (AncHLD-RLuc), ... | Authors: | Chaloupkova, R, Waterman, J, Marek, M, Damborsky, J. | Deposit date: | 2018-04-04 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.391 Å) | Cite: | Light-Emitting Dehalogenases: Reconstruction of Multifunctional Biocatalysts Acs Catalysis, 2019
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4GUP
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![BU of 4gup by Molmil](/molmil-images/mine/4gup) | Structure of MHC-class I related molecule MR1 | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Patel, O, Le Nours, J, Rossjohn, J. | Deposit date: | 2012-08-29 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | MR1 presents microbial vitamin B metabolites to MAIT cells Nature, 491, 2012
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4LKK
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![BU of 4lkk by Molmil](/molmil-images/mine/4lkk) | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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6GC4
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![BU of 6gc4 by Molmil](/molmil-images/mine/6gc4) | 50S ribosomal subunit assembly intermediate state 3 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Nikolay, R, Hilal, T, Qin, B, Loerke, J, Buerger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2018-04-17 | Release date: | 2018-07-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Visualization of the Formation and Activation of the 50S Ribosomal Subunit during In Vitro Reconstitution. Mol. Cell, 70, 2018
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4L94
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![BU of 4l94 by Molmil](/molmil-images/mine/4l94) | Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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6N9T
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![BU of 6n9t by Molmil](/molmil-images/mine/6n9t) | Structure of a peptide-based photo-affinity cross-linker with Herceptin Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin G1 FC, ... | Authors: | Sadowsky, J, Ultsch, M, Vance, N, Wang, W. | Deposit date: | 2018-12-04 | Release date: | 2019-01-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.576 Å) | Cite: | Development, Optimization, and Structural Characterization of an Efficient Peptide-Based Photoaffinity Cross-Linking Reaction for Generation of Homogeneous Conjugates from Wild-Type Antibodies. Bioconjug. Chem., 30, 2019
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6Q36
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2WKZ
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![BU of 2wkz by Molmil](/molmil-images/mine/2wkz) | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | Deposit date: | 2009-06-19 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells. J.Med.Chem., 53, 2010
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6N4I
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![BU of 6n4i by Molmil](/molmil-images/mine/6n4i) | Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin | Descriptor: | Beta/omega-theraphotoxin-Tp2a, Nav1.7 VSD2-NavAb channel chimera protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Xu, H, Koth, C.M, Payandeh, J. | Deposit date: | 2018-11-19 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.541 Å) | Cite: | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin. Cell, 176, 2019
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6SUD
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![BU of 6sud by Molmil](/molmil-images/mine/6sud) | Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ... | Authors: | Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2019-09-13 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
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6SQX
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![BU of 6sqx by Molmil](/molmil-images/mine/6sqx) | Insights into a novel NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | Deposit date: | 2019-09-04 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Secreted NlpC/P60 Endopeptidase from Photobacterium damselae subsp. piscicida Cleaves the Peptidoglycan of Potentially Competing Bacteria. Msphere, 6, 2021
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2C8Q
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![BU of 2c8q by Molmil](/molmil-images/mine/2c8q) | insuline(1sec) and UV laser excited fluorescence | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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6GC8
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![BU of 6gc8 by Molmil](/molmil-images/mine/6gc8) | 50S ribosomal subunit assembly intermediate - 50S rec* | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Nikolay, R, Hilal, T, Qin, B, Loerke, J, Buerger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2018-04-17 | Release date: | 2018-06-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Visualization of the Formation and Activation of the 50S Ribosomal Subunit during In Vitro Reconstitution. Mol. Cell, 70, 2018
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8I9U
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![BU of 8i9u by Molmil](/molmil-images/mine/8i9u) | Human TRiC-PhLP2A complex in the open state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosducin-like protein 3, T-complex protein 1 subunit alpha, ... | Authors: | Roh, S.H, Park, J, Kim, H, Lim, S. | Deposit date: | 2023-02-07 | Release date: | 2024-01-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle. Nat Commun, 15, 2024
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6SUO
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![BU of 6suo by Molmil](/molmil-images/mine/6suo) | ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) | Descriptor: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2019-09-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
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2CLX
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![BU of 2clx by Molmil](/molmil-images/mine/2clx) | 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M. | Deposit date: | 2006-05-02 | Release date: | 2006-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects J.Med.Chem., 49, 2006
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6SUW
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![BU of 6suw by Molmil](/molmil-images/mine/6suw) | |
7UFG
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![BU of 7ufg by Molmil](/molmil-images/mine/7ufg) | Cryo-EM structure of PAPP-A in complex with IGFBP5 | Descriptor: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | Deposit date: | 2022-03-22 | Release date: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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8I1U
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![BU of 8i1u by Molmil](/molmil-images/mine/8i1u) | Human TRiC-PhLP2A complex in the closed state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Roh, S.H, Park, J, Kim, H, Lim, S. | Deposit date: | 2023-01-13 | Release date: | 2024-01-31 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle. Nat Commun, 15, 2024
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1RGE
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![BU of 1rge by Molmil](/molmil-images/mine/1rge) | HYDROLASE, GUANYLORIBONUCLEASE | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE, SULFATE ION | Authors: | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | Deposit date: | 1995-06-05 | Release date: | 1996-10-14 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ribonuclease from Streptomyces aureofaciens at atomic resolution. Acta Crystallogr.,Sect.D, 52, 1996
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2V0Z
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![BU of 2v0z by Molmil](/molmil-images/mine/2v0z) | Crystal Structure of Renin with Inhibitor 10 (Aliskiren) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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6TD1
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![BU of 6td1 by Molmil](/molmil-images/mine/6td1) | Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2 | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-11-07 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition. Rsc Med Chem, 11, 2020
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6BIZ
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![BU of 6biz by Molmil](/molmil-images/mine/6biz) | HLA-DRB1 in complex with citrullinated Histone 2B peptide | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), ... | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | Deposit date: | 2017-11-03 | Release date: | 2018-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis. J. Biol. Chem., 293, 2018
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2V16
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![BU of 2v16 by Molmil](/molmil-images/mine/2v16) | Crystal Structure of Renin with Inhibitor 3 | Descriptor: | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-22 | Release date: | 2008-07-08 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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6T4Q
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![BU of 6t4q by Molmil](/molmil-images/mine/6t4q) | Structure of yeast 80S ribosome stalled on the CGA-CCG inhibitory codon combination. | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | Authors: | Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. | Deposit date: | 2019-10-14 | Release date: | 2019-12-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts. Embo J., 39, 2020
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