5JOO
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![BU of 5joo by Molmil](/molmil-images/mine/5joo) | XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | Deposit date: | 2016-05-02 | Release date: | 2017-08-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K36
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![BU of 5k36 by Molmil](/molmil-images/mine/5k36) | Structure of an eleven component nuclear RNA exosome complex bound to RNA | Descriptor: | Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... | Authors: | Lima, C.D, Zinder, J.C. | Deposit date: | 2016-05-19 | Release date: | 2016-11-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nuclear RNA Exosome at 3.1 angstrom Reveals Substrate Specificities, RNA Paths, and Allosteric Inhibition of Rrp44/Dis3. Mol.Cell, 64, 2016
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4NBI
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![BU of 4nbi by Molmil](/molmil-images/mine/4nbi) | D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution | Descriptor: | 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL | Authors: | Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2013-10-23 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mechanism of chiral proofreading during translation of the genetic code. Elife, 2, 2013
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4MQI
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4MQT
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![BU of 4mqt by Molmil](/molmil-images/mine/4mqt) | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | Deposit date: | 2013-09-16 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor. Nature, 504, 2013
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4MJ2
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![BU of 4mj2 by Molmil](/molmil-images/mine/4mj2) | Crystal structure of apo-iduronidase in the R3 form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | Authors: | Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G. | Deposit date: | 2013-09-03 | Release date: | 2013-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol., 9, 2013
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5JSB
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![BU of 5jsb by Molmil](/molmil-images/mine/5jsb) | Crystal structure of Mcl1-inhibitor complex | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-07 | Release date: | 2016-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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4MRY
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![BU of 4mry by Molmil](/molmil-images/mine/4mry) | Crystal Structure of Ca(2+)- discharged Y138F obelin mutant from Obelia longissima at 1.30 Angstrom resolution | Descriptor: | CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin | Authors: | Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | Deposit date: | 2013-09-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction. Acta Crystallogr.,Sect.D, 70, 2014
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5JTB
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![BU of 5jtb by Molmil](/molmil-images/mine/5jtb) | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-09 | Release date: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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5JU8
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![BU of 5ju8 by Molmil](/molmil-images/mine/5ju8) | Cryo-EM structure of an ErmBL-stalled ribosome in complex with P-, and E-tRNA | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N. | Deposit date: | 2016-05-10 | Release date: | 2016-07-20 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nat Commun, 7, 2016
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4MVD
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![BU of 4mvd by Molmil](/molmil-images/mine/4mvd) | Crystal Structure of a Mammalian Cytidylyltransferase | Descriptor: | Choline-phosphate cytidylyltransferase A, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | Authors: | Lee, J, Cornell, R.B. | Deposit date: | 2013-09-23 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (8 Å) | Cite: | Structural Basis for Autoinhibition of CTP:Phosphocholine Cytidylyltransferase (CCT), the Regulatory Enzyme in Phosphatidylcholine Synthesis, by Its Membrane-binding Amphipathic Helix. J.Biol.Chem., 289, 2014
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4MQP
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![BU of 4mqp by Molmil](/molmil-images/mine/4mqp) | Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole | Descriptor: | (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2013-09-16 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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4MRV
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![BU of 4mrv by Molmil](/molmil-images/mine/4mrv) | Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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4N7P
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![BU of 4n7p by Molmil](/molmil-images/mine/4n7p) | Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sugiyama, K, Shibayama, N, Park, S.Y. | Deposit date: | 2013-10-16 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Capturing the hemoglobin allosteric transition in a single crystal form J.Am.Chem.Soc., 136, 2014
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4N8T
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![BU of 4n8t by Molmil](/molmil-images/mine/4n8t) | Human hemoglobin nitric oxide adduct | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ... | Authors: | Yi, J, Richter-Addo, G.B. | Deposit date: | 2013-10-18 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin. Nitric Oxide, 39, 2014
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4KRA
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![BU of 4kra by Molmil](/molmil-images/mine/4kra) | |
4K43
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![BU of 4k43 by Molmil](/molmil-images/mine/4k43) | Crystal structure of actin in complex with synthetic AplC tail analogue GC04 [N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pereira, J.H, Petchprayoon, C, Moriarty, N.W, Fink, S.J, Cecere, G, Paterson, I, Adams, P.D, Marriott, G. | Deposit date: | 2013-04-11 | Release date: | 2014-10-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues. Chemmedchem, 9, 2014
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5K2D
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![BU of 5k2d by Molmil](/molmil-images/mine/5k2d) | 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2016-05-18 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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4K5G
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![BU of 4k5g by Molmil](/molmil-images/mine/4k5g) | Structure of neuronal nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4K5F
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![BU of 4k5f by Molmil](/molmil-images/mine/4k5f) | Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5JTG
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![BU of 5jtg by Molmil](/molmil-images/mine/5jtg) | |
4KCQ
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![BU of 4kcq by Molmil](/molmil-images/mine/4kcq) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(4-(2-(ethyl(3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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5JZ9
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![BU of 5jz9 by Molmil](/molmil-images/mine/5jz9) | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | Descriptor: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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4KCM
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![BU of 4kcm by Molmil](/molmil-images/mine/4kcm) | Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-(ethyl(3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, BROMIDE ION, N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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5K3F
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![BU of 5k3f by Molmil](/molmil-images/mine/5k3f) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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