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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3W21
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![BU of 3w21 by Molmil](/molmil-images/mine/3w21) | Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase in complex with alpha-KG from Burkholderia ambifaria AMMD | Descriptor: | 2-OXOGLUTARIC ACID, Putative uncharacterized protein, ZINC ION | Authors: | Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M. | Deposit date: | 2012-11-26 | Release date: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD Plos One, 8, 2013
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1W5E
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7MIT
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![BU of 7mit by Molmil](/molmil-images/mine/7mit) | Vascular KATP channel: Kir6.1 SUR2B propeller-like conformation 1 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ... | Authors: | Sung, M.W, Shyng, S.L. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides. Proc.Natl.Acad.Sci.USA, 118, 2021
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3CHF
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7NG0
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![BU of 7ng0 by Molmil](/molmil-images/mine/7ng0) | Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | Descriptor: | Nucleoid occlusion protein, SULFATE ION | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | Deposit date: | 2021-02-08 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc. Mol.Cell, 81, 2021
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4ZNN
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![BU of 4znn by Molmil](/molmil-images/mine/4znn) | MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56 | Descriptor: | Alpha-synuclein | Authors: | Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S. | Deposit date: | 2015-05-05 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1.41 Å) | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals. Nature, 525, 2015
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3D45
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![BU of 3d45 by Molmil](/molmil-images/mine/3d45) | Crystal structure of mouse PARN in complex with m7GpppG | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Poly(A)-specific ribonuclease PARN | Authors: | Wu, M, Song, H. | Deposit date: | 2008-05-13 | Release date: | 2009-03-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of m(7)GpppG binding to poly(A)-specific ribonuclease. Structure, 17, 2009
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8CDA
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![BU of 8cda by Molmil](/molmil-images/mine/8cda) | Crystal structure of MAB_4123 from Mycobacterium abscessus | Descriptor: | GLYCEROL, PHOSPHATE ION, Probable monooxygenase | Authors: | Ung, K.L, Poussineau, C, Couston, J, Alsarraf, H.M.A.B, Blaise, M. | Deposit date: | 2023-01-30 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of MAB_4123, a putative flavin-dependent monooxygenase from Mycobacterium abscessus. Acta Crystallogr.,Sect.F, 79, 2023
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5W3K
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![BU of 5w3k by Molmil](/molmil-images/mine/5w3k) | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD | Descriptor: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W. | Deposit date: | 2017-06-08 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
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8ING
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![BU of 8ing by Molmil](/molmil-images/mine/8ing) | Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution | Descriptor: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ahmad, M.I, Viswanathan, V, Kumar, M, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2023-03-09 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution To be published
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1MDI
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1MDK
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![BU of 1mdk by Molmil](/molmil-images/mine/1mdk) | HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB) | Descriptor: | TARGET SITE IN HUMAN NFKB, THIOREDOXIN | Authors: | Clore, G.M, Qin, J, Gronenborn, A.M. | Deposit date: | 1995-02-27 | Release date: | 1995-06-03 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B. Structure, 3, 1995
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1MDJ
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![BU of 1mdj by Molmil](/molmil-images/mine/1mdj) | HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB) | Descriptor: | TARGET SITE IN HUMAN NFKB, THIOREDOXIN | Authors: | Clore, G.M, Qin, J, Gronenborn, A.M. | Deposit date: | 1995-02-27 | Release date: | 1995-06-03 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B. Structure, 3, 1995
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3CHN
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![BU of 3chn by Molmil](/molmil-images/mine/3chn) | Solution structure of human secretory IgA1 | Descriptor: | Ig alpha-1 chain C region, Immunoglobulin kappa light chain, Secretory component | Authors: | Bonner, A, Almogren, A, Furtado, P.B, Kerr, M.A, Perkins, S.J. | Deposit date: | 2008-03-10 | Release date: | 2008-12-30 | Last modified: | 2024-02-21 | Method: | SOLUTION SCATTERING | Cite: | Location of secretory component on the Fc edge of dimeric IgA1 reveals insight into the role of secretory IgA1 in mucosal immunity. Mucosal Immunol, 2, 2009
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1W36
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![BU of 1w36 by Molmil](/molmil-images/mine/1w36) | RecBCD:DNA complex | Descriptor: | CALCIUM ION, DNA HAIRPIN, EXODEOXYRIBONUCLEASE V ALPHA CHAIN, ... | Authors: | Singleton, M.R, Dillingham, M.S, Gaudier, M, C Kowalczykowski, S, Wigley, D.B. | Deposit date: | 2004-07-13 | Release date: | 2004-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of Recbcd Enzyme Reveals a Machine for Processing DNA Breaks Nature, 432, 2004
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7NDG
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![BU of 7ndg by Molmil](/molmil-images/mine/7ndg) | Cryo-EM structure of the ternary complex between Netrin-1, Neogenin and Repulsive Guidance Molecule B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-01 | Release date: | 2021-03-31 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (5.98 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NE0
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![BU of 7ne0 by Molmil](/molmil-images/mine/7ne0) | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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1W4U
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![BU of 1w4u by Molmil](/molmil-images/mine/1w4u) | NMR solution structure of the ubiquitin conjugating enzyme UbcH5B | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2-17 KDA 2 | Authors: | Houben, K, Dominguez, C, Van Schaik, F.M.A, Timmers, H.T.M, Bonvin, A.M.J.J, Boelens, R. | Deposit date: | 2004-07-29 | Release date: | 2004-11-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Ubiquitin-Conjugating Enzyme Ubch5B J.Mol.Biol., 344, 2004
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7NEP
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![BU of 7nep by Molmil](/molmil-images/mine/7nep) | Homology model of the in situ actomyosin complex from the A-band of mouse psoas muscle sarcomere in the rigor state | Descriptor: | Actin, alpha skeletal muscle, Myosin light chain 1/3, ... | Authors: | Wang, Z, Grange, M, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | Deposit date: | 2021-02-04 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (10.2 Å) | Cite: | The molecular basis for sarcomere organization in vertebrate skeletal muscle. Cell, 184, 2021
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5A0G
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![BU of 5a0g by Molmil](/molmil-images/mine/5a0g) | N-terminal thioester domain of surface protein from Clostridium perfringens | Descriptor: | SURFACE ANCHORED PROTEIN | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | Deposit date: | 2015-04-20 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding. Elife, 4, 2015
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6XHG
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![BU of 6xhg by Molmil](/molmil-images/mine/6xhg) | Far-red absorbing dark state of JSC1_58120g3 with bound biliverdin IXa (BV) | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, JSC1_58120g3 | Authors: | Moreno, M.V, Rockwell, N.C, Fisher, A.J, Lagarias, J.C. | Deposit date: | 2020-06-18 | Release date: | 2020-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A far-red cyanobacteriochrome lineage specific for verdins. Proc.Natl.Acad.Sci.USA, 117, 2020
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3CHD
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5VX3
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![BU of 5vx3 by Molmil](/molmil-images/mine/5vx3) | Bcl-xL in complex with Bim-h3Pc-RT | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 1, Bcl-2-like protein 11 | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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6XJR
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![BU of 6xjr by Molmil](/molmil-images/mine/6xjr) | |