6FLW
 
 | | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus. | | Descriptor: | CITRIC ACID, Jacalin-like lectin | | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
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6HAE
 | | Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP cofactor and methenyl-tetrahydromethanopterin (close form B) | | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, CHLORIDE ION, ... | | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
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6FMR
 | | IMISX-EP of Se-PepTSt | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-29 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6FMW
 | | IMISX-EP of Hg-BacA cocrystallization | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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8QAQ
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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5CEC
 | | Bd3459 Predatory Endopeptidase from Bdellovibrio bacteriovorus in complex with immunity protein Bd3460 | | Descriptor: | Bd3459, Bd3460, SULFATE ION | | Authors: | Lovering, A.L, Cadby, I.T, Lambert, C, Sockett, R.E. | | Deposit date: | 2015-07-06 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus.
Nat Commun, 6, 2015
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3NRY
 | | Insights into anti-parallel microtubule crosslinking by PRC1, a conserved microtubule binding protein | | Descriptor: | Protein regulator of cytokinesis 1 | | Authors: | Kapoor, T.M, Subramanian, R, Wilson-Kubalek, E.M, Arthur, C.P, Bick, M.J, Campbell, E.A, Darst, S.A, Milligan, R.A. | | Deposit date: | 2010-07-01 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into Antiparallel Microtubule Crosslinking by PRC1, a Conserved Nonmotor Microtubule Binding Protein.
Cell(Cambridge,Mass.), 142, 2010
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2CII
 | | The crystal structure of H-2Db complexed with a partial peptide epitope suggests an MHC Class I assembly-intermediate | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN D-B ALPHA CHAIN, ... | | Authors: | Glithero, A, Tormo, J, Doering, K, Kojima, M, Jones, E.Y, Elliott, T. | | Deposit date: | 2006-03-21 | | Release date: | 2006-03-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal structure of H-2D(b) complexed with a partial peptide epitope suggests a major histocompatibility complex class I assembly intermediate.
J. Biol. Chem., 281, 2006
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2C92
 | | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE, ... | | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2005-12-09 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
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8QAS
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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2CJM
 | | Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Welburn, J.P.I, Tucker, J, Johnson, T, Lindert, L, Morgan, M, Willis, A, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2006-04-05 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | How Tyrosine 15 Phosphorylation Inhibits the Activity of Cyclin-Dependent Kinase 2-Cyclin A.
J.Biol.Chem., 282, 2007
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4KUO
 | | A superfast recovering full-length LOV protein from the marine phototrophic bacterium Dinoroseobacter shibae (Photoexcited state) | | Descriptor: | RIBOFLAVIN, blue-light photoreceptor | | Authors: | Circolone, F, Granzin, J, Stadler, A, Krauss, U, Drepper, T, Endres, S, Knieps-Gruenhagen, E, Wirtz, A, Willbold, D, Batra-Safferling, R, Jaeger, K.-E. | | Deposit date: | 2013-05-22 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of a short LOV protein from the marine phototrophic bacterium Dinoroseobacter shibae.
BMC Microbiol, 15, 2015
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6FZQ
 | | Crystal structure of scFv-SM3 in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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4KVW
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (3R,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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8QBP
 | | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | SOLUTION NMR | | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
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6NFZ
 | | Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active state. | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | | Deposit date: | 2018-12-21 | | Release date: | 2019-05-01 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (2.966 Å) | | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
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6FTF
 | | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | | Deposit date: | 2018-02-21 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09151936 Å) | | Cite: | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma.
Nat Commun, 10, 2019
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5O2G
 | | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D. | | Deposit date: | 2017-05-20 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
To Be Published
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2C7F
 | | The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,5-alpha-L-Arabinotriose. | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, ... | | Authors: | Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2005-11-23 | | Release date: | 2005-12-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum.
Biochem.J., 395, 2006
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6JPH
 | | Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila | | Descriptor: | ACETATE ION, Alginate lyase, CALCIUM ION, ... | | Authors: | Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W. | | Deposit date: | 2019-03-27 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.759 Å) | | Cite: | The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
J.Biol.Chem., 294, 2019
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1R44
 | | Crystal Structure of VanX | | Descriptor: | D-alanyl-D-alanine dipeptidase, ZINC ION | | Authors: | Pratt, S.D, Katz, L, Severin, J.M, Holzman, T, Park, C.H. | | Deposit date: | 2003-10-03 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance
Mol.Cell, 2, 1998
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4IRU
 | | Crystal Structure of lepB GAP core in a transition state mimetic complex with Rab1A and ALF3 | | Descriptor: | ACETATE ION, ALUMINUM FLUORIDE, GLYCEROL, ... | | Authors: | Mishra, A.K, Delcampo, C.M, Collins, R.E, Roy, C.R, Lambright, D.G. | | Deposit date: | 2013-01-15 | | Release date: | 2013-07-10 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Legionella pneumophila GTPase Activating Protein LepB Accelerates Rab1 Deactivation by a Non-canonical Hydrolytic Mechanism.
J.Biol.Chem., 288, 2013
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6JPN
 | | Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila | | Descriptor: | Alginate lyase, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W. | | Deposit date: | 2019-03-27 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
J.Biol.Chem., 294, 2019
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5O4E
 | | Crystal structure of VEGF in complex with heterodimeric Fcab JanusCT6 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mlynek, G, Lobner, E, Kubinger, K, Humm, A, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
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2MQU
 | | Spatial structure of Hm-3, a membrane-active spider toxin affecting sodium channels | | Descriptor: | Neurotoxin Hm-3 | | Authors: | Myshkin, M.Y, Shenkarev, Z.O, Paramonov, A.S, Berkut, A.A, Grishin, E.V, Vassilevski, A.A. | | Deposit date: | 2014-06-27 | | Release date: | 2014-11-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure of membrane-active toxin from crab spider Heriaeus melloteei suggests parallel evolution of sodium channel gating modifiers in Araneomorphae and Mygalomorphae.
J. Biol. Chem., 290, 2015
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