3LV3
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![BU of 3lv3 by Molmil](/molmil-images/mine/3lv3) | Crystal structure of HLA-B*2705 complexed with a peptide derived from the human voltage-dependent calcium channel alpha1 subunit (residues 513-521) | Descriptor: | 9-meric peptide from Voltage-dependent L-type calcium channel subunit alpha-1D, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Loll, B, Rueckert, C, Saenger, W, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2010-02-19 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Loss of recognition by cross-reactive T cells and its relation to a C-terminus-induced conformational reorientation of an HLA-B*2705-bound peptide. Protein Sci., 20, 2011
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7XTJ
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![BU of 7xtj by Molmil](/molmil-images/mine/7xtj) | Crystal structure of E88A mutant of GH3 beta-xylosidase from Aspergillus niger (AnBX) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Kaenying, W, Kongsaeree, P.T, Tagami, T. | Deposit date: | 2022-05-17 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and identification of amino acid residues for catalysis and binding of GH3 AnBX beta-xylosidase from Aspergillus niger. Appl.Microbiol.Biotechnol., 107, 2023
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4TKF
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![BU of 4tkf by Molmil](/molmil-images/mine/4tkf) | Crystal Structure of human Tankyrase 2 in complex with IWR-1. | Descriptor: | 3-aminobenzamide, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4RLN
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![BU of 4rln by Molmil](/molmil-images/mine/4rln) | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with nXDS | Descriptor: | Lysozyme C | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | Deposit date: | 2014-10-17 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams. Acta Crystallogr.,Sect.D, 71, 2015
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4TO1
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![BU of 4to1 by Molmil](/molmil-images/mine/4to1) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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7M8E
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![BU of 7m8e by Molmil](/molmil-images/mine/7m8e) | E.coli RNAP-RapA elongation complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Shi, W, Liu, B. | Deposit date: | 2021-03-29 | Release date: | 2021-08-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase. Nucleic Acids Res., 49, 2021
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3KU4
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![BU of 3ku4 by Molmil](/molmil-images/mine/3ku4) | Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | SULFATE ION, Uridine phosphorylase | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
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4RSU
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![BU of 4rsu by Molmil](/molmil-images/mine/4rsu) | Crystal structure of the light and hvem complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Liu, W, Ramagoal, U.A, Himmel, D, Bonanno, J.B, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-11-11 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160. J.Exp.Med., 218, 2021
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3KZL
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![BU of 3kzl by Molmil](/molmil-images/mine/3kzl) | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-12-08 | Release date: | 2009-12-22 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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4RMI
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![BU of 4rmi by Molmil](/molmil-images/mine/4rmi) | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4RNT
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3KKD
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![BU of 3kkd by Molmil](/molmil-images/mine/3kkd) | Structure of a putative tetr transcriptional regulator (pa3699) from pseudomonas aeruginosa pa01 | Descriptor: | POLYETHYLENE GLYCOL (N=34), SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Filippova, E.V, Chruszcz, M, Cymborowski, M, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-11-05 | Release date: | 2009-12-15 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Putative TetR Transcriptional Regulator (PA3699) from Pseudomonas Aeruginosa PA01 To be Published
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3KNX
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![BU of 3knx by Molmil](/molmil-images/mine/3knx) | HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor | Descriptor: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | Authors: | Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G. | Deposit date: | 2009-11-12 | Release date: | 2010-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease. J.Med.Chem., 52, 2009
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3KFV
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![BU of 3kfv by Molmil](/molmil-images/mine/3kfv) | Crystal structure of the SH3-kinase fragment of tight junction protein 3 (TJP3) in apo-form | Descriptor: | Tight junction protein ZO-3, UNKNOWN ATOM OR ION | Authors: | Tong, Y, Nedyalkova, L, Tempel, W, Zhong, N, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-28 | Release date: | 2009-11-03 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the SH3-kinase fragment of tight junction protein 3 (TJP3) in apo-form to be published
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4TK0
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![BU of 4tk0 by Molmil](/molmil-images/mine/4tk0) | Crystal Structure of human Tankyrase 2 in complex with DPQ. | Descriptor: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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3KJR
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![BU of 3kjr by Molmil](/molmil-images/mine/3kjr) | Crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis determined using SlipChip based microfluidics | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Dihydrofolate reductase/thymidylate synthase, GLYCEROL, ... | Authors: | Li, L, Du, W, Edwards, T.E, Staker, B.L, Phan, I, Stacy, R, Ismagilov, R.F, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-11-03 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Multiparameter screening on SlipChip used for nanoliter protein crystallization combining free interface diffusion and microbatch methods. J.Am.Chem.Soc., 132, 2010
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4TKZ
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![BU of 4tkz by Molmil](/molmil-images/mine/4tkz) | Crystal structure of phosphotransferase system component EIIA from Streptococcus agalactiae | Descriptor: | GLYCEROL, Putative uncharacterized protein gbs1890 | Authors: | Nakamichi, Y, Maruyama, Y, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2014-05-28 | Release date: | 2014-08-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of phosphotransferase system component EIIA from Streptococcus agalactiae To Be Published
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4RWM
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![BU of 4rwm by Molmil](/molmil-images/mine/4rwm) | Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ... | Authors: | Dietl, A, Maalcke, W, Barends, T.R.M. | Deposit date: | 2014-12-05 | Release date: | 2015-08-12 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An unexpected reactivity of the P460 cofactor in hydroxylamine oxidoreductase. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4TKG
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![BU of 4tkg by Molmil](/molmil-images/mine/4tkg) | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-26 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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3KP8
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![BU of 3kp8 by Molmil](/molmil-images/mine/3kp8) | The thioredoxin-like domain of a VKOR homolog from Synechococcus sp. | Descriptor: | VKORC1/thioredoxin domain protein | Authors: | Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A. | Deposit date: | 2009-11-15 | Release date: | 2010-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of a bacterial homologue of vitamin K epoxide reductase. Nature, 463, 2010
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4TO5
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![BU of 4to5 by Molmil](/molmil-images/mine/4to5) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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3KQ8
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![BU of 3kq8 by Molmil](/molmil-images/mine/3kq8) | |
4TTB
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![BU of 4ttb by Molmil](/molmil-images/mine/4ttb) | |
4TQV
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![BU of 4tqv by Molmil](/molmil-images/mine/4tqv) | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | Descriptor: | AlgM1, AlgM2, AlgS | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | Deposit date: | 2014-06-12 | Release date: | 2015-07-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.504 Å) | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate Structure, 23, 2015
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4RL2
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![BU of 4rl2 by Molmil](/molmil-images/mine/4rl2) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-15 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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