3ZGL
| Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | Deposit date: | 2012-12-18 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials. Chembiochem, 18, 2017
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3ZR4
| STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX | Descriptor: | GLUTAMINE, GLYCEROL, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF, ... | Authors: | Vega, M.C, Kuper, J, Haeger, M.C, Mohrlueder, J, Marquardt, S, Sterner, R, Wilmanns, M. | Deposit date: | 2011-06-13 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site. Chem.Biol., 19, 2012
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3ZO7
| Crystal structure of ClcFE27A with substrate | Descriptor: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.224 Å) | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
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5UHY
| A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | Descriptor: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | Authors: | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | A human antibody against Zika virus crosslinks the E protein to prevent infection. Nat Commun, 8, 2017
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4BTU
| Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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3ZFE
| Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | CHLORIDE ION, SODIUM ION, SPHINGOSINE, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
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4CE5
| First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus | Descriptor: | AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K. | Deposit date: | 2013-11-08 | Release date: | 2014-02-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus Plos One, 9, 2014
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3ZL4
| Antibody structural organization: Role of kappa - lambda chain constant domain switch in catalytic functionality | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, A17 ANTIBODY FAB FRAGMENT HEAVY CHAIN, A17 ANTIBODY FAB FRAGMENT LAMBDA LIGHT CHAIN | Authors: | Chatziefthimiou, S.D, Ponomarenko, N.A, Kurkova, I.N, Smirnov, A.V, Smirnov, I.V, Lamzin, V.S, Gabibov, A.G, Wilmanns, M. | Deposit date: | 2013-01-28 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of Kappa>Lambda Light-Chain Constant-Domain Switch in the Structure and Functionality of A17 Reactibody Acta Crystallogr.,Sect.D, 70, 2014
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4C7V
| Apo Transketolase from Lactobacillus salivarius at 2.2A resolution | Descriptor: | TRANSKETOLASE | Authors: | Lobley, C.M.C, Lukacik, P, Bumann, M, Aller, P, Douangamath, A, O'Toole, P.W, Walsh, M.A. | Deposit date: | 2013-09-26 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High Resolution Crystal Structures of Lactobacillus Salivarius Transketolase in the Presence and Absence of Thiamine Pyrophosphate Acta Crystallogr.,Sect.F, 71, 2015
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4C1Y
| Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with b-methylfucoside | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, ... | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2013-08-14 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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3ZGN
| Crystal structures of Escherichia coli IspH in complex with TMBPP a potent inhibitor of the methylerythritol phosphate pathway | Descriptor: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | Deposit date: | 2012-12-18 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials. Chembiochem, 18, 2017
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3ZNJ
| Crystal structure of unliganded ClcF from R.opacus 1CP in crystal form 1. | Descriptor: | 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | Deposit date: | 2013-02-14 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
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4C10
| Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E19 | Descriptor: | CHLORIDE ION, EV19 5 C1-6 F1 C11, SODIUM ION, ... | Authors: | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2013-08-08 | Release date: | 2014-02-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (13 Å) | Cite: | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZMQ
| Src-derived mutant peptide inhibitor complex of PTP1B | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Temmerman, K, Pogenberg, V, Meyer, C, Koehn, M, Wilmanns, M. | Deposit date: | 2013-02-12 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Development of Accessible Peptidic Tool Compounds to Study the Phosphatase Ptp1B in Intact Cells. Acs Chem.Biol., 9, 2014
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5NN2
| The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-07 | Release date: | 2018-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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3ZS4
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE WITH BOUND PRFAR | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER | Authors: | Due, A.V, Kuper, J, Geerlof, A, Wilmanns, M. | Deposit date: | 2011-06-22 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Prfar To be Published
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4CPM
| Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | Deposit date: | 2014-02-07 | Release date: | 2014-05-14 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPN
| Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | Deposit date: | 2014-02-08 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4BWF
| Pex4p-Pex22p disulphide bond mutant | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | Deposit date: | 2013-07-01 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity Sci.Rep., 3, 2013
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8BX1
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8BX2
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4A8A
| Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme | Descriptor: | LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | Authors: | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | Deposit date: | 2011-11-20 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (14.2 Å) | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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7KCR
| Cryo-EM structure of Zika virus in complex with E protein cross-linking human monoclonal antibody ADI30056 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI30056 Fab heavy chain variable region, ADI30056 Fab light chain variable region, ... | Authors: | Sevvana, M, Rogers, T.F, Miller, A.S, Long, F, Klose, T, Beutler, N, Lai, Y.C, Parren, M, Walker, L.M, Buda, G, Burton, D.R, Rossmann, M.G, Kuhn, R.J. | Deposit date: | 2020-10-07 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Zika Virus Specific Neutralization in Subsequent Flavivirus Infections. Viruses, 12, 2020
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3URO
| Poliovirus receptor CD155 D1D2 | Descriptor: | Poliovirus receptor | Authors: | Zhang, P, Mueller, S, Morais, M.C, Bator, C.M, Bowman, V.D, Hafenstein, S, Wimmer, E, Rossmann, M.G. | Deposit date: | 2011-11-22 | Release date: | 2011-12-07 | Method: | X-RAY DIFFRACTION (3.5005 Å) | Cite: | Crystal structure of CD155 and electron microscopic studies of its complexes with polioviruses. Proc.Natl.Acad.Sci.USA, 105, 2008
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5OVT
| Thiobacillus denitrificans BPH in complex with Epoxomicin | Descriptor: | BPH, Epoxomicin, PHOSPHATE ION | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | Deposit date: | 2017-08-29 | Release date: | 2017-12-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties. J. Biol. Chem., 293, 2018
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