3NUC
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![BU of 3nuc by Molmil](/molmil-images/mine/3nuc) | STAPHLOCOCCAL NUCLEASE, 1-N-PROPANE THIOL DISULFIDE TO V23C VARIANT | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O. | Deposit date: | 1997-12-06 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mobile unnatural amino acid side chains in the core of staphylococcal nuclease. Protein Sci., 5, 1996
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5EH4
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6TMH
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![BU of 6tmh by Molmil](/molmil-images/mine/6tmh) | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, OSCP/F1/c-ring model | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha,subunit alpha, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria. Nat Commun, 12, 2021
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6TEH
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![BU of 6teh by Molmil](/molmil-images/mine/6teh) | Baseplate of native GTA particle computed with C3 symmetry | Descriptor: | IRON/SULFUR CLUSTER, Putative gene transfer agent protein | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | Deposit date: | 2019-11-12 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent. Nat Commun, 11, 2020
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6S2X
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![BU of 6s2x by Molmil](/molmil-images/mine/6s2x) | Crystal structure of the Legionella pneumophila ChiA C-terminal domain | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA | Authors: | Garnett, J.A, Shaw, R. | Deposit date: | 2019-06-23 | Release date: | 2020-04-22 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation. Plos Pathog., 16, 2020
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6RJS
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![BU of 6rjs by Molmil](/molmil-images/mine/6rjs) | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | Descriptor: | Methionine adenosyltransferase | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | Deposit date: | 2019-04-29 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. J.Mol.Biol., 431, 2019
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5ENB
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![BU of 5enb by Molmil](/molmil-images/mine/5enb) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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4I85
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![BU of 4i85 by Molmil](/molmil-images/mine/4i85) | Crystal structure of transthyretin in complex with CHF5074 at neutral pH | Descriptor: | 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, Transthyretin | Authors: | Zanotti, G, Cendron, L, Folli, C, Florio, P, Imbimbo, B.P, Berni, R. | Deposit date: | 2012-12-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural evidence for native state stabilization of a conformationally labile amyloidogenic transthyretin variant by fibrillogenesis inhibitors. Febs Lett., 587, 2013
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6RKH
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![BU of 6rkh by Molmil](/molmil-images/mine/6rkh) | The crystal structure of AbnE (Selenium derivative), an arabino-oligosaccharide binding protein, in complex with arabinohexaose | Descriptor: | Arabino-oligosaccharids-binding protein, CALCIUM ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose | Authors: | Lansky, S, Salama, R, Shoham, Y, Shoham, G. | Deposit date: | 2019-04-30 | Release date: | 2020-04-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.471 Å) | Cite: | Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein. J.Mol.Biol., 432, 2020
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6RZ5
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![BU of 6rz5 by Molmil](/molmil-images/mine/6rz5) | XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | Authors: | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv, 5, 2019
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6RZG
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![BU of 6rzg by Molmil](/molmil-images/mine/6rzg) | Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.015 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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6S0D
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![BU of 6s0d by Molmil](/molmil-images/mine/6s0d) | H30 MnSOD-3 Mutant II | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ... | Authors: | Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T. | Deposit date: | 2019-06-14 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | H30 MnSOD-3 Mutant II To Be Published
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5EGV
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![BU of 5egv by Molmil](/molmil-images/mine/5egv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol | Descriptor: | 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-27 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.863 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5EHB
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![BU of 5ehb by Molmil](/molmil-images/mine/5ehb) | A de novo designed hexameric coiled-coil peptide with iodotyrosine | Descriptor: | pHiosYI | Authors: | Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I. | Deposit date: | 2015-10-28 | Release date: | 2016-06-15 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch. Structure, 24, 2016
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6RT2
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![BU of 6rt2 by Molmil](/molmil-images/mine/6rt2) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope | Descriptor: | (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | Authors: | Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2019-05-22 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chem.Commun.(Camb.), 56, 2020
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5EI1
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![BU of 5ei1 by Molmil](/molmil-images/mine/5ei1) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol | Descriptor: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-29 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6RTF
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5GPY
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![BU of 5gpy by Molmil](/molmil-images/mine/5gpy) | Crystal structure of the human TFIIE complex | Descriptor: | General transcription factor IIE subunit 1, Transcription initiation factor IIE subunit beta, ZINC ION | Authors: | Obita, T, Miwa, K, Kojima, R, Ohkuma, Y, Tamura, Y, Mizuguchi, M. | Deposit date: | 2016-08-05 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human General Transcription Factor TFIIE at Atomic Resolution J.Mol.Biol., 428, 2016
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6U5E
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![BU of 6u5e by Molmil](/molmil-images/mine/6u5e) | RT XFEL structure of CypA solved using celloluse carrier media | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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6UDA
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![BU of 6uda by Molmil](/molmil-images/mine/6uda) | Cryo-EM structure of CH235UCA bound to Man5-enriched CH505.N279K.G458Y.SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH235 UCA heavy chain Fab, CH235 UCA light chain Fab, ... | Authors: | Henderson, R, Acharya, P. | Deposit date: | 2019-09-19 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancester of CH235 lineage CD4bs broadly neutralizing antibodies. Plos Pathog., 15, 2019
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6UF1
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![BU of 6uf1 by Molmil](/molmil-images/mine/6uf1) | Pistol ribozyme transition-state analog vanadate | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | Deposit date: | 2019-09-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme. Angew.Chem.Int.Ed.Engl., 59, 2020
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5GZN
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![BU of 5gzn by Molmil](/molmil-images/mine/5gzn) | Structure of neutralizing antibody bound to Zika envelope protein | Descriptor: | Antibody Heavy chain, Antibody light chain, Genome polyprotein | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2016-09-29 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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6UH0
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![BU of 6uh0 by Molmil](/molmil-images/mine/6uh0) | Human Carbonic Anhydrase 2 in complex with SB4-202 | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.306 Å) | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
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6UHC
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![BU of 6uhc by Molmil](/molmil-images/mine/6uhc) | CryoEM structure of human Arp2/3 complex with bound NPFs | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... | Authors: | Zimmet, A, van Eeuwen, T, Dominguez, R. | Deposit date: | 2019-09-27 | Release date: | 2020-07-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of NPF-bound human Arp2/3 complex and activation mechanism. Sci Adv, 6, 2020
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