6CQY
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![BU of 6cqy by Molmil](/molmil-images/mine/6cqy) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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1AIX
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![BU of 1aix by Molmil](/molmil-images/mine/1aix) | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | Authors: | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | Deposit date: | 1997-04-30 | Release date: | 1997-10-15 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. Protein Sci., 1, 1992
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6W2T
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![BU of 6w2t by Molmil](/molmil-images/mine/6w2t) | Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2) | Descriptor: | 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ... | Authors: | Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S. | Deposit date: | 2020-03-08 | Release date: | 2020-04-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate. Elife, 9, 2020
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154D
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![BU of 154d by Molmil](/molmil-images/mine/154d) | DNA DISTORTION IN BIS-INTERCALATED COMPLEXES | Descriptor: | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE, DNA (5'-D(*(CBR)P*GP*CP*G)-3') | Authors: | Peek, M.E, Lipscomb, L.A, Bertrand, J.A, Gao, Q, Roques, B.P, Garbay-Jaureguiberry, C, Williams, L.D. | Deposit date: | 1993-12-14 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | DNA distortion in bis-intercalated complexes. Biochemistry, 33, 1994
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131D
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![BU of 131d by Molmil](/molmil-images/mine/131d) | THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE | Authors: | Bancroft, D, Williams, L.D, Rich, A, Egli, M. | Deposit date: | 1993-06-18 | Release date: | 1993-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove. Biochemistry, 33, 1994
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5VBK
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1AEU
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![BU of 1aeu by Molmil](/molmil-images/mine/1aeu) | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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5UVL
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![BU of 5uvl by Molmil](/molmil-images/mine/5uvl) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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4UZS
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![BU of 4uzs by Molmil](/molmil-images/mine/4uzs) | Crystal structure of Bifidobacterium bifidum beta-galactosidase | Descriptor: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I. | Deposit date: | 2014-09-08 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpah-Galactose. FEBS J., 283, 2016
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1AH5
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![BU of 1ah5 by Molmil](/molmil-images/mine/1ah5) | REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | Authors: | Helliwell, J.R, Nieh, Y.P, Harrop, S.J, Cassetta, A. | Deposit date: | 1997-04-13 | Release date: | 1997-10-15 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Determination of the structure of seleno-methionine-labelled hydroxymethylbilane synthase in its active form by multi-wavelength anomalous dispersion. Acta Crystallogr.,Sect.D, 55, 1999
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4V82
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![BU of 4v82 by Molmil](/molmil-images/mine/4v82) | Crystal structure of cyanobacterial Photosystem II in complex with terbutryn | 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: | Gabdulkhakov, A, Broser, M, Guskov, A, Kern, J, Glockner, C, Muh, F, Saenger, W, Zouni, A. | Deposit date: | 2010-11-30 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn J.Biol.Chem., 286, 2011
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4W7N
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6CH4
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6CGG
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![BU of 6cgg by Molmil](/molmil-images/mine/6cgg) | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin | Descriptor: | Arbekacin, Bifunctional AAC/APH, CHLORIDE ION, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2018-02-20 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia. Antimicrob. Agents Chemother., 62, 2018
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5UZ9
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![BU of 5uz9 by Molmil](/molmil-images/mine/5uz9) | Cryo EM structure of anti-CRISPRs, AcrF1 and AcrF2, bound to type I-F crRNA-guided CRISPR surveillance complex | Descriptor: | Anti-CRISPR protein 30, Anti-CRISPR protein Acr30-35, CRISPR RNA (60-MER), ... | Authors: | Chowdhury, S, Carter, J, Rollins, M.F, Jackson, R.N, Hoffmann, C, Nosaka, L, Bondy-Denomy, J, Maxwell, K.L, Davidson, A.R, Fischer, E.R, Lander, G.C, Wiedenheft, B. | Deposit date: | 2017-02-25 | Release date: | 2017-04-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Reveals Mechanisms of Viral Suppressors that Intercept a CRISPR RNA-Guided Surveillance Complex. Cell, 169, 2017
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5V1P
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![BU of 5v1p by Molmil](/molmil-images/mine/5v1p) | DNA polymerase beta substrate complex with 8-oxoG:C at the primer terminus and incoming dCTP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide. Nucleic Acids Res., 45, 2017
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6VMY
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![BU of 6vmy by Molmil](/molmil-images/mine/6vmy) | Structure of the B. subtilis cobalamin riboswitch | Descriptor: | Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ... | Authors: | Chan, C.W, Mondragon, A. | Deposit date: | 2020-01-28 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding. Nucleic Acids Res., 48, 2020
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4UT9
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![BU of 4ut9 by Molmil](/molmil-images/mine/4ut9) | Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C10, ENVELOPE GLYCOPROTEIN E | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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6CLI
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![BU of 6cli by Molmil](/molmil-images/mine/6cli) | 1.01 A MicroED structure of GSNQNNF at 0.17 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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5UUP
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5UVF
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![BU of 5uvf by Molmil](/molmil-images/mine/5uvf) | Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-20 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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6CE8
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![BU of 6ce8 by Molmil](/molmil-images/mine/6ce8) | Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEC
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![BU of 6cec by Molmil](/molmil-images/mine/6cec) | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CBR
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5VBG
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![BU of 5vbg by Molmil](/molmil-images/mine/5vbg) | |