4RTJ
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4RWS
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![BU of 4rws by Molmil](/molmil-images/mine/4rws) | Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target) | Descriptor: | C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2 | Authors: | Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR) | Deposit date: | 2014-12-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine. Science, 347, 2015
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4TSP
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![BU of 4tsp by Molmil](/molmil-images/mine/4tsp) | Crystal structure of FraC with DHPC bound (crystal form II) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4S2G
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![BU of 4s2g by Molmil](/molmil-images/mine/4s2g) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2019-12-25 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RM8
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![BU of 4rm8 by Molmil](/molmil-images/mine/4rm8) | Crystal structure of human ezrin in space group P21 | Descriptor: | Ezrin | Authors: | Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | Deposit date: | 2014-10-20 | Release date: | 2015-12-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin. Biochem. J., 473, 2016
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4RPH
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4TNK
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![BU of 4tnk by Molmil](/molmil-images/mine/4tnk) | RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5.2 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4TSY
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![BU of 4tsy by Molmil](/molmil-images/mine/4tsy) | Crystal structure of FraC with lipids | Descriptor: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4RWD
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![BU of 4rwd by Molmil](/molmil-images/mine/4rwd) | XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-02 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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4ROM
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![BU of 4rom by Molmil](/molmil-images/mine/4rom) | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | Descriptor: | 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | Deposit date: | 2014-10-28 | Release date: | 2015-05-20 | Last modified: | 2015-06-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents. Org.Biomol.Chem., 13, 2015
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4RTQ
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4QOS
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![BU of 4qos by Molmil](/molmil-images/mine/4qos) | CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ADP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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4QAE
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4QNR
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![BU of 4qnr by Molmil](/molmil-images/mine/4qnr) | CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ATP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-18 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.539 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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4QNX
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![BU of 4qnx by Molmil](/molmil-images/mine/4qnx) | Crystal structure of apo-CmoB | Descriptor: | SULFATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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4QHE
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![BU of 4qhe by Molmil](/molmil-images/mine/4qhe) | Crystal structure of Mg2+ bound human APE1 | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | Authors: | He, H, Chen, Q, Georgiadis, M.M. | Deposit date: | 2014-05-28 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I. Biochemistry, 53, 2014
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4QIJ
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![BU of 4qij by Molmil](/molmil-images/mine/4qij) | Crystal structure of MenB from Mycobacteria tuberculosis in complex with 1-HNA-CoA | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, 1-hydroxy-2-naphthoyl-CoA | Authors: | Song, H.G, Sung, H.P, Tse, Y.S, Guo, Z.H. | Deposit date: | 2014-05-31 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand-dependent active-site closure revealed in the crystal structure of Mycobacterium tuberculosis MenB complexed with product analogues Acta Crystallogr.,Sect.D, 70, 2014
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4Q2F
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![BU of 4q2f by Molmil](/molmil-images/mine/4q2f) | Galectin-1 in Complex with Ligand AN020 | Descriptor: | Galectin-1, SULFATE ION, prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside | Authors: | Grimm, C, Bertleff-Zieschang, N. | Deposit date: | 2014-04-08 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Galectin-1 in Complex with Ligand AN020 To be Published
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4QNM
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![BU of 4qnm by Molmil](/molmil-images/mine/4qnm) | CRYSTAL STRUCTURE of PSPF(1-265) E108Q MUTANT | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Psp operon transcriptional activator | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-18 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.628 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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4QNV
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![BU of 4qnv by Molmil](/molmil-images/mine/4qnv) | Crystal structure of Cx-SAM bound CmoB from E. coli in P6122 | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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4QGE
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![BU of 4qge by Molmil](/molmil-images/mine/4qge) | phosphodiesterase-9A in complex with inhibitor WYQ-C36D | Descriptor: | MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... | Authors: | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | Deposit date: | 2014-05-22 | Release date: | 2014-12-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent. J.Med.Chem., 57, 2014
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4QH5
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![BU of 4qh5 by Molmil](/molmil-images/mine/4qh5) | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in phosphate buffer | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M, Sauguet, L. | Deposit date: | 2014-05-26 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC Acta Crystallogr.,Sect.D, 2015
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4QII
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![BU of 4qii by Molmil](/molmil-images/mine/4qii) | Crystal Structure of type II MenB from Mycobacteria tuberculosis | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, Salicylyl CoA, TRIETHYLENE GLYCOL | Authors: | Song, H.G, Tse, Y.S, Sung, H.P, Guo, Z.H. | Deposit date: | 2014-05-31 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ligand-dependent active-site closure revealed in the crystal structure of Mycobacterium tuberculosis MenB complexed with product analogues Acta Crystallogr.,Sect.D, 70, 2014
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4QKM
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![BU of 4qkm by Molmil](/molmil-images/mine/4qkm) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2014-06-06 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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4TSL
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![BU of 4tsl by Molmil](/molmil-images/mine/4tsl) | Crystal structure of FraC with POC bound (crystal form I) | Descriptor: | ACETATE ION, FORMIC ACID, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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