5XJV
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![BU of 5xjv by Molmil](/molmil-images/mine/5xjv) | Two intermediate states of conformation switch in dual specificity phosphatase 13a | Descriptor: | Dual specificity protein phosphatase 13 isoform A, PHOSPHATE ION | Authors: | Wei, C.H, Min, H.G, Chun, H.J, Ryu, S.E. | Deposit date: | 2017-05-04 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Two intermediate states of the conformational switch in dual specificity phosphatase 13a Pharmacol. Res., 128, 2018
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6X6R
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![BU of 6x6r by Molmil](/molmil-images/mine/6x6r) | Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, ADP-ribosyltransferase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Pozharski, E. | Deposit date: | 2020-05-29 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA To Be Published
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6RP9
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![BU of 6rp9 by Molmil](/molmil-images/mine/6rp9) | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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4FXE
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![BU of 4fxe by Molmil](/molmil-images/mine/4fxe) | |
2X90
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![BU of 2x90 by Molmil](/molmil-images/mine/2x90) | Crystal structure of AnCE-enalaprilat complex | Descriptor: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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1MWD
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![BU of 1mwd by Molmil](/molmil-images/mine/1mwd) | WILD TYPE DEOXY MYOGLOBIN | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, A.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-11 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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5XN9
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![BU of 5xn9 by Molmil](/molmil-images/mine/5xn9) | Crystal structure of a secretary abundant heat soluble (SAHS) protein from Ramazzottius varieornatus (from monomer sample) | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Fukuda, Y, Miura, Y, Mizohata, E, Inoue, T. | Deposit date: | 2017-05-19 | Release date: | 2017-07-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Structural insights into a secretory abundant heat-soluble protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus FEBS Lett., 591, 2017
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5XNF
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![BU of 5xnf by Molmil](/molmil-images/mine/5xnf) | Crystal structure of the branched-chain polyamine synthase (BpsA) from Thermococcus kodakarensis | Descriptor: | FE (III) ION, GLYCEROL, N(4)-bis(aminopropyl)spermidine synthase, ... | Authors: | Mizohata, E, Tse, K.M, Fujita, J, Inoue, T. | Deposit date: | 2017-05-22 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine. FEBS J., 284, 2017
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6V7B
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![BU of 6v7b by Molmil](/molmil-images/mine/6v7b) | Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2) | Descriptor: | A-DNA, Structural protein VP1, Structural protein VP2 | Authors: | Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2019-12-08 | Release date: | 2020-04-01 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a filamentous virus uncovers familial ties within the archaeal virosphere. Virus Evol, 6, 2020
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6Y85
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![BU of 6y85 by Molmil](/molmil-images/mine/6y85) | |
6Y8O
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![BU of 6y8o by Molmil](/molmil-images/mine/6y8o) | Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA gyrase subunit B, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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3GJF
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![BU of 3gjf by Molmil](/molmil-images/mine/3gjf) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ... | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
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2X8Z
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![BU of 2x8z by Molmil](/molmil-images/mine/2x8z) | Crystal structure of AnCE-captopril complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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5X6K
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![BU of 5x6k by Molmil](/molmil-images/mine/5x6k) | Crystal structure of adenylate kinase | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, adenylate kinase isoenzyme 1 | Authors: | Moon, S, Bae, E. | Deposit date: | 2017-02-22 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analyses of adenylate kinases from Antarctic and tropical fishes for understanding cold adaptation of enzymes Sci Rep, 7, 2017
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3P0J
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2X94
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![BU of 2x94 by Molmil](/molmil-images/mine/2x94) | Crystal structure of AnCE-perindoprilat complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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2AL4
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![BU of 2al4 by Molmil](/molmil-images/mine/2al4) | CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate and CX614. | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, Glutamate receptor 2, ... | Authors: | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | Deposit date: | 2005-08-04 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of positive allosteric modulators acting on AMPA receptors. J.Neurosci., 25, 2005
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5MEM
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![BU of 5mem by Molmil](/molmil-images/mine/5mem) | A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe. | Descriptor: | 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ... | Authors: | Mamais, M, Chrysina, E.D. | Deposit date: | 2016-11-15 | Release date: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site. Chemistry, 23, 2017
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3G2K
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![BU of 3g2k by Molmil](/molmil-images/mine/3g2k) | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | Descriptor: | 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2009-01-31 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case Tetrahedron: Asymmetry, 20, 2009
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5MGD
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![BU of 5mgd by Molmil](/molmil-images/mine/5mgd) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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6VH7
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![BU of 6vh7 by Molmil](/molmil-images/mine/6vh7) | Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | Descriptor: | Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-09 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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1N4C
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![BU of 1n4c by Molmil](/molmil-images/mine/1n4c) | NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin | Descriptor: | Auxilin | Authors: | Gruschus, J.M, Han, C.J, Greener, T, Greene, L.E, Ferretti, J.A, Eisenberg, E. | Deposit date: | 2002-10-30 | Release date: | 2003-11-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the functional fragment of auxilin required for catalytic uncoating of clathrin-coated vesicles. Biochemistry, 43, 2004
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6V09
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![BU of 6v09 by Molmil](/molmil-images/mine/6v09) | Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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2X91
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![BU of 2x91 by Molmil](/molmil-images/mine/2x91) | Crystal structure of AnCE-lisinopril complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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6Y7Z
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![BU of 6y7z by Molmil](/molmil-images/mine/6y7z) | Fragment KCL_914 in complex with MAP kinase p38-alpha | Descriptor: | 1-(1-adamantyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-02 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment KCL_914 in complex with MAP kinase p38-alpha To Be Published
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