3ZDV
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![BU of 3zdv by Molmil](/molmil-images/mine/3zdv) | Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ... | Authors: | Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A. | Deposit date: | 2012-11-30 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes. Acs Chem.Biol., 8, 2013
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1ZFD
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![BU of 1zfd by Molmil](/molmil-images/mine/1zfd) | SWI5 ZINC FINGER DOMAIN 2, NMR, 45 STRUCTURES | Descriptor: | SWI5, ZINC ION | Authors: | Neuhaus, D, Nakaseko, Y, Schwabe, J.W.R, Rhodes, D, Klug, A. | Deposit date: | 1996-04-04 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of two zinc-finger domains from SWI5 obtained using two-dimensional 1H nuclear magnetic resonance spectroscopy. A zinc-finger structure with a third strand of beta-sheet. J.Mol.Biol., 228, 1992
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1Q1P
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![BU of 1q1p by Molmil](/molmil-images/mine/1q1p) | E-Cadherin activation | Descriptor: | CALCIUM ION, Epithelial-cadherin | Authors: | Haussinger, D, Stetefeld, J. | Deposit date: | 2003-07-22 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Proteolytic E-cadherin activation followed by solution NMR and X-ray crystallography. Embo J., 23, 2004
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2L30
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![BU of 2l30 by Molmil](/molmil-images/mine/2l30) | Human PARP-1 zinc finger 1 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | Deposit date: | 2010-08-30 | Release date: | 2011-02-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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2L31
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![BU of 2l31 by Molmil](/molmil-images/mine/2l31) | Human PARP-1 zinc finger 2 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | Deposit date: | 2010-08-30 | Release date: | 2011-02-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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2LD1
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![BU of 2ld1 by Molmil](/molmil-images/mine/2ld1) | |
2KQD
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![BU of 2kqd by Molmil](/molmil-images/mine/2kqd) | First PBZ domain of human APLF protein in complex with ribofuranosyladenosine | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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2KQE
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![BU of 2kqe by Molmil](/molmil-images/mine/2kqe) | Second PBZ domain of human APLF protein in complex with ribofuranosyladenosine | Descriptor: | ADENOSINE, Aprataxin and PNK-like factor, ZINC ION, ... | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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2KQC
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![BU of 2kqc by Molmil](/molmil-images/mine/2kqc) | Second PBZ domain of human APLF protein | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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2KQB
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![BU of 2kqb by Molmil](/molmil-images/mine/2kqb) | First PBZ domain of human APLF protein | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J. | Deposit date: | 2009-11-04 | Release date: | 2010-01-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose). Nat.Struct.Mol.Biol., 17, 2010
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7MLA
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![BU of 7mla by Molmil](/molmil-images/mine/7mla) | Solution NMR structure of HDMX in complex with Zn and MCo-52-2 | Descriptor: | MCo-52-2, Protein Mdm4, ZINC ION | Authors: | Ramirez, L.S, Theophall, G, Chaudhuri, D, Camarero, J.C, Shekhtman, A. | Deposit date: | 2021-04-28 | Release date: | 2022-05-04 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of HDMX in complex with Zn and cyclotide 52-2 To Be Published
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5NR6
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![BU of 5nr6 by Molmil](/molmil-images/mine/5nr6) | |
2N8A
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![BU of 2n8a by Molmil](/molmil-images/mine/2n8a) | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | Deposit date: | 2015-10-08 | Release date: | 2015-12-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1. Mol.Cell, 60, 2015
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5NR5
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![BU of 5nr5 by Molmil](/molmil-images/mine/5nr5) | |
2LH8
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![BU of 2lh8 by Molmil](/molmil-images/mine/2lh8) | Syrian hamster prion protein with thiamine | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Major prion protein | Authors: | Perez-Pineiro, R, Bjorndahl, T.C, Berjanskii, M, Hau, D, Li, L, Huang, A, Lee, R, Gibbs, E, Ladner, C, Wei Dong, Y, Abera, A, Cashman, N.R, Wishart, D. | Deposit date: | 2011-08-05 | Release date: | 2011-09-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The prion protein binds thiamine. Febs J., 278, 2011
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2VRD
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![BU of 2vrd by Molmil](/molmil-images/mine/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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1NCS
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![BU of 1ncs by Molmil](/molmil-images/mine/1ncs) | NMR STUDY OF SWI5 ZINC FINGER DOMAIN 1 | Descriptor: | TRANSCRIPTIONAL FACTOR SWI5, ZINC ION | Authors: | Dutnall, R.N, Neuhaus, D, Rhodes, D. | Deposit date: | 1996-02-26 | Release date: | 1996-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the first zinc finger domain of SWI5: a novel structural extension to a common fold. Structure, 4, 1996
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1HCP
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![BU of 1hcp by Molmil](/molmil-images/mine/1hcp) | |
1E7J
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![BU of 1e7j by Molmil](/molmil-images/mine/1e7j) | HMG-D complexed to a bulge DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3'), HIGH MOBILITY GROUP PROTEIN D | Authors: | Cerdan, R, Payet, D, Yang, J.-C, Travers, A.A, Neuhaus, D. | Deposit date: | 2000-08-29 | Release date: | 2001-03-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Hmg-D Complexed to a Bulge DNA: An NMR Model Protein Sci., 10, 2001
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7BBF
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![BU of 7bbf by Molmil](/molmil-images/mine/7bbf) | |
1AUD
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![BU of 1aud by Molmil](/molmil-images/mine/1aud) | U1A-UTRRNA, NMR, 31 STRUCTURES | Descriptor: | RNA 3UTR, U1A 102 | Authors: | Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G. | Deposit date: | 1997-08-22 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis of the RNA-binding specificity of human U1A protein. EMBO J., 16, 1997
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7BBD
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![BU of 7bbd by Molmil](/molmil-images/mine/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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5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/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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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/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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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/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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