3ZS0
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![BU of 3zs0 by Molmil](/molmil-images/mine/3zs0) | Human Myeloperoxidase inactivated by TX2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ... | Authors: | Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation. J.Biol.Chem., 286, 2011
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3ZS1
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![BU of 3zs1 by Molmil](/molmil-images/mine/3zs1) | Human Myeloperoxidase inactivated by TX5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ... | Authors: | Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation. J.Biol.Chem., 286, 2011
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1B6P
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![BU of 1b6p by Molmil](/molmil-images/mine/1b6p) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 | Descriptor: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE, RETROPEPSIN, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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1B6K
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![BU of 1b6k by Molmil](/molmil-images/mine/1b6k) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 | Descriptor: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE, RETROPEPSIN, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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1B6M
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![BU of 1b6m by Molmil](/molmil-images/mine/1b6m) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | Descriptor: | RETROPEPSIN, SULFATE ION, [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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1B6J
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![BU of 1b6j by Molmil](/molmil-images/mine/1b6j) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1 | Descriptor: | CYCLIC PEPTIDE INHIBITOR, RETROPEPSIN, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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1B6L
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![BU of 1b6l by Molmil](/molmil-images/mine/1b6l) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 | Descriptor: | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE, RETROPEPSIN, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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4IRW
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![BU of 4irw by Molmil](/molmil-images/mine/4irw) | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form | Descriptor: | BIOTIN, PYRIDINE-2,6-DICARBOXYLIC ACID, SODIUM ION, ... | Authors: | Bandara, R.A.M.S.S, Liu, D.Q, Hindupur, A, Tesh, K.F, Fox, R.O. | Deposit date: | 2013-01-15 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form To be Published
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2WVW
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![BU of 2wvw by Molmil](/molmil-images/mine/2wvw) | Cryo-EM structure of the RbcL-RbcX complex | Descriptor: | RBCX PROTEIN, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN | Authors: | Liu, C, Young, A.L, Starling-Windhof, A, Bracher, A, Saschenbrecker, S, Rao, B.V, Rao, K.V, Berninghausen, O, Mielke, T, Hartl, F.U, Beckmann, R, Hayer-Hartl, M. | Deposit date: | 2009-10-20 | Release date: | 2010-01-19 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Coupled Chaperone Action in Folding and Assembly of Hexadecameric Rubisco Nature, 463, 2010
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5HT8
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![BU of 5ht8 by Molmil](/molmil-images/mine/5ht8) | Crystal structure of clostrillin double mutant (S17H,S19H) in complex with nickel | Descriptor: | Beta and gamma crystallin, NICKEL (II) ION | Authors: | Jamkhindikar, A, Srivastava, S.S, Sankaranarayanan, R. | Deposit date: | 2016-01-26 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Transition Metal-Binding, Trimeric beta gamma-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila Biochemistry, 56, 2017
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8E7B
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![BU of 8e7b by Molmil](/molmil-images/mine/8e7b) | Crystal structure of the p53 (Y107H) core domain monoclinic P form | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | Deposit date: | 2022-08-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression. Cancer Discov, 13, 2023
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8E7A
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![BU of 8e7a by Molmil](/molmil-images/mine/8e7a) | Crystal structure of the p53 (Y107H) core domain orthorhombic P form | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | Deposit date: | 2022-08-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression. Cancer Discov, 13, 2023
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6S41
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![BU of 6s41 by Molmil](/molmil-images/mine/6s41) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | Deposit date: | 2019-06-26 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
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7N19
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![BU of 7n19 by Molmil](/molmil-images/mine/7n19) | |
7NFW
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![BU of 7nfw by Molmil](/molmil-images/mine/7nfw) | |
4GMQ
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![BU of 4gmq by Molmil](/molmil-images/mine/4gmq) | Ribosome-binding domain of Zuo1 | Descriptor: | Putative ribosome associated protein | Authors: | Kopp, J, Bange, G, Sinning, I. | Deposit date: | 2012-08-16 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural characterization of a eukaryotic chaperone-the ribosome-associated complex. Nat.Struct.Mol.Biol., 20, 2013
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7NYQ
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![BU of 7nyq by Molmil](/molmil-images/mine/7nyq) | Crystal structure of the Mei-P26 NHL domain | Descriptor: | Meiotic P26, isoform C | Authors: | Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S. | Deposit date: | 2021-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26. Life Sci Alliance, 5, 2022
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7NIZ
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![BU of 7niz by Molmil](/molmil-images/mine/7niz) | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | Deposit date: | 2021-02-14 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification. Chem Sci, 12, 2021
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6N4D
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![BU of 6n4d by Molmil](/molmil-images/mine/6n4d) | The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yang, H, Stevens, J. | Deposit date: | 2018-11-19 | Release date: | 2019-01-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States. J. Infect. Dis., 216, 2017
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6N4F
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7PI4
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![BU of 7pi4 by Molmil](/molmil-images/mine/7pi4) | FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Chung, C. | Deposit date: | 2021-08-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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4U7D
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![BU of 4u7d by Molmil](/molmil-images/mine/4u7d) | Structure of human RECQ-like helicase in complex with an oligonucleotide | Descriptor: | ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION | Authors: | Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures. Proc.Natl.Acad.Sci.USA, 112, 2015
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1HXE
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![BU of 1hxe by Molmil](/molmil-images/mine/1hxe) | SERINE PROTEASE | Descriptor: | HIRUDIN VARIANT-1, RUBIDIUM ION, THROMBIN | Authors: | Tulinsky, A, Zhang, E. | Deposit date: | 1995-12-07 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The molecular environment of the Na+ binding site of thrombin. Biophys.Chem., 63, 1997
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4QPT
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![BU of 4qpt by Molmil](/molmil-images/mine/4qpt) | Structural Investigation of hnRNP L | Descriptor: | Heterogenous nuclear ribonucleoprotein L, PHOSPHATE ION | Authors: | Blatter, M, Allain, F.H.-T. | Deposit date: | 2014-06-25 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein. J.Mol.Biol., 427, 2015
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6GQE
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![BU of 6gqe by Molmil](/molmil-images/mine/6gqe) | |