5A0C
 
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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5A8X
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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5A09
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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1HCP
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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2YOA
 | | Synaptotagmin-1 C2B domain with phosphoserine | | Descriptor: | CALCIUM ION, PHOSPHOSERINE, SYNAPTOTAGMIN-1, ... | | Authors: | Honigmann, A, van den Bogaart, G, Iraheta, E, Risselada, H.J, Milovanovic, D, Mueller, V, Muellar, S, Diederichsen, U, Fasshauer, D, Grubmuller, H, Hell, S.W, Eggeling, C, Kuhnel, K, Jahn, R. | | Deposit date: | 2012-10-22 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Phosphatidylinositol 4,5-Bisphosphate Clusters Act as Molecular Beacons for Vesicle Recruitment
Nat.Struct.Mol.Biol., 20, 2013
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2LBM
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2VRD
 | | THE STRUCTURE OF THE ZINC FINGER FROM THE HUMAN SPLICEOSOMAL PROTEIN U1C | | Descriptor: | U1 SMALL NUCLEAR RIBONUCLEOPROTEIN C, ZINC ION | | Authors: | Muto, Y, Pomeranz-Krummel, D, Oubridge, C, Hernandez, H, Robinson, C, Neuhaus, D, Nagai, K. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Structure and Biochemical Properties of the Human Spliceosomal Protein U1C
J.Mol.Biol., 341, 2004
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1SP7
 | | Structure of the Cys-rich C-terminal domain of Hydra minicollagen | | Descriptor: | mini-collagen | | Authors: | Meier, S, Haussinger, D, Pokidysheva, E, Bachinger, H.P, Grzesiek, S. | | Deposit date: | 2004-03-16 | | Release date: | 2004-05-18 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Determination of a high-precision NMR structure of the minicollagen cysteine rich domain from Hydra and characterization of its disulfide bond formation.
Febs Lett., 569, 2004
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2BN5
 | | P-Element Somatic Inhibitor Protein Complex with U1-70k proline-rich peptide | | Descriptor: | PSI, U1 SMALL NUCLEAR RIBONUCLEOPROTEIN 70 KDA | | Authors: | Ignjatovic, T, Yang, J.-C, Butler, P.J.G, Neuhaus, D, Nagai, K. | | Deposit date: | 2005-03-21 | | Release date: | 2005-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of the Interaction between P-Element Somatic Inhibitor and U1-70K Essential for the Alternative Splicing of P-Element Transposase.
J.Mol.Biol., 351, 2005
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7BBD
 | | Crystal structure of monoubiquitinated TRIM21 RING (Ub-RING) In complex with ubiquitin charged Ube2N (Ube2N~Ub) and Ube2V2 | | Descriptor: | Polyubiquitin-B,E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, ... | | Authors: | Kiss, L, Neuhaus, D, James, L.C. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination.
Nat Commun, 12, 2021
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2BN6
 | | P-Element Somatic Inhibitor Protein | | Descriptor: | PSI | | Authors: | Ignjatovic, T, Yang, J.C, Butler, P.J.G, Neuhaus, D, Nagai, K. | | Deposit date: | 2005-03-21 | | Release date: | 2005-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of the Interaction between P-Element Somatic Inhibitor and U1-70K Essential for the Alternative Splicing of P-Element Transposase.
J.Mol.Biol., 351, 2005
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7BBF
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2BO5
 | | Bovine oligomycin sensitivity conferral protein N-terminal domain | | Descriptor: | ATP SYNTHASE OLIGOMYCIN SENSITIVITY CONFERRAL PROTEIN | | Authors: | Carbajo, R.J, Kellas, F.A, Runswick, M.J, Montgomery, M.G, Walker, J.E, Neuhaus, D. | | Deposit date: | 2005-04-07 | | Release date: | 2005-08-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the F1-binding domain of the stator of bovine F1Fo-ATPase and how it binds an alpha-subunit.
J. Mol. Biol., 351, 2005
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2NPS
 | | Crystal Structure of the Early Endosomal SNARE Complex | | Descriptor: | Syntaxin 13, Syntaxin-6, Vesicle transport through interaction with t-SNAREs homolog 1A, ... | | Authors: | Zwilling, D, Cypionka, A, Pohl, W.H, Fasshauer, D, Walla, P.J, Wahl, M.C, Jahn, R. | | Deposit date: | 2006-10-30 | | Release date: | 2006-12-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Early endosomal SNAREs form a structurally conserved SNARE complex and fuse liposomes with multiple topologies
Embo J., 26, 2007
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2MY1
 | | Solution structure of Bud31p | | Descriptor: | Pre-mRNA-splicing factor BUD31, ZINC ION | | Authors: | van Roon, A.M, Yang, J, Mathieu, D, Bermel, W, Nagai, K, Neuhaus, D. | | Deposit date: | 2015-01-19 | | Release date: | 2015-03-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | (113) Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6AT9
 | | Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101 | | Descriptor: | ALK, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | | Deposit date: | 2017-08-28 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9503 Å) | | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
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1HMA
 | | THE SOLUTION STRUCTURE AND DYNAMICS OF THE DNA BINDING DOMAIN OF HMG-D FROM DROSOPHILA MELANOGASTER | | Descriptor: | HMG-D | | Authors: | Jones, D.N.M, Searles, M.A, Shaw, G.L, Churchill, M.E.A, Ner, S.S, Keeler, J, Travers, A.A, Neuhaus, D. | | Deposit date: | 1994-05-12 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure and dynamics of the DNA-binding domain of HMG-D from Drosophila melanogaster.
Structure, 2, 1994
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3MSP
 | | MOTILE MAJOR SPERM PROTEIN (MSP) OF ASCARIS SUUM, NMR, 20 STRUCTURES | | Descriptor: | MAJOR SPERM PROTEIN | | Authors: | Haaf, A, Leclaire III, L, Roberts, G, Kent, H.M, Roberts, T.M, Stewart, M, Neuhaus, D. | | Deposit date: | 1998-09-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the motile major sperm protein (MSP) of Ascaris suum - evidence for two manganese binding sites and the possible role of divalent cations in filament formation.
J.Mol.Biol., 284, 1998
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2JM1
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2N1T
 | | Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | | Deposit date: | 2015-04-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution.
Nat.Struct.Mol.Biol., 22, 2015
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5MIH
 | | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1XC5
 | | Solution Structure of the SMRT Deacetylase Activation Domain | | Descriptor: | Nuclear receptor corepressor 2 | | Authors: | Codina, A, Love, J.D, Li, Y, Lazar, M.A, Neuhaus, D, Schwabe, J.W.R. | | Deposit date: | 2004-09-01 | | Release date: | 2005-05-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the interaction and activation of histone deacetylase 3 by nuclear receptor corepressors
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XJR
 | | The Structure of a Rigorously Conserved RNA Element Within the SARS Virus Genome | | Descriptor: | MAGNESIUM ION, s2m RNA | | Authors: | Robertson, M.P, Igel, H, Baertsch, R, Haussler, D, Ares Jr, M, Scott, W.G. | | Deposit date: | 2004-09-24 | | Release date: | 2005-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of a rigorously conserved RNA element within the SARS virus genome
Plos Biol., 3, 2005
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