7L9C
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![BU of 7l9c by Molmil](/molmil-images/mine/7l9c) | Receiver Domain of RssB | Descriptor: | Regulator of RpoS | Authors: | Deaconescu, A.M, Son, J, Schwartz, J. | Deposit date: | 2021-01-03 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB. Protein Sci., 30, 2021
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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6GU5
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![BU of 6gu5 by Molmil](/molmil-images/mine/6gu5) | Mosto containing the core POM clusters | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MOLYBDATE ION, Molybdenum storage protein subunit alpha, ... | Authors: | Ermler, U, Poppe, J, Bruenle, S. | Deposit date: | 2018-06-19 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump. FEBS J., 285, 2018
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2HSL
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![BU of 2hsl by Molmil](/molmil-images/mine/2hsl) | NMR structure of 13mer duplex DNA containing an abasic site, averaged structure (alpha anomer) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(D1P)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-07-22 | Release date: | 2007-05-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structural studies and molecular modeling of duplex DNA containing normal and 4'-oxidized abasic sites. Biochemistry, 46, 2007
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2HSS
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![BU of 2hss by Molmil](/molmil-images/mine/2hss) | 13mer duplex DNA containg an abasic site with beta anomer, averaged structure | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(AAB)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-07-22 | Release date: | 2007-05-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structural studies and molecular modeling of duplex DNA containing normal and 4'-oxidized abasic sites. Biochemistry, 46, 2007
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6GRN
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![BU of 6grn by Molmil](/molmil-images/mine/6grn) | CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site | Descriptor: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J. | Deposit date: | 2018-06-11 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A. Chemistry, 24, 2018
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4IFL
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![BU of 4ifl by Molmil](/molmil-images/mine/4ifl) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | Descriptor: | Nrf2 peptide, kelch-like ECH-associated protein 1 | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | Deposit date: | 2012-12-14 | Release date: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
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6GX4
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![BU of 6gx4 by Molmil](/molmil-images/mine/6gx4) | The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed under in vitro conditions | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, MOLYBDATE ION, ... | Authors: | Poppe, J, Bruenle, S, Hail, R, Ermler, E. | Deposit date: | 2018-06-26 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump. FEBS J., 285, 2018
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4K5B
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![BU of 4k5b by Molmil](/molmil-images/mine/4k5b) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | Descriptor: | Apoptosis regulator BCL-W, Bcl-2-like protein 2 | Authors: | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | Deposit date: | 2013-04-14 | Release date: | 2014-04-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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6GZ8
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![BU of 6gz8 by Molmil](/molmil-images/mine/6gz8) | First GerMN domain of the sporulation protein GerM from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, Spore germination protein GerM | Authors: | Trouve, J, Mohamed, A, Leisico, F, Contreras-Martel, C, Liu, B, Mas, C, Rudner, D.Z, Rodrigues, C.D.A, Morlot, C. | Deposit date: | 2018-07-03 | Release date: | 2018-10-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural characterization of the sporulation protein GerM from Bacillus subtilis. J. Struct. Biol., 204, 2018
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3FFC
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![BU of 3ffc by Molmil](/molmil-images/mine/3ffc) | Crystal Structure of CF34 TCR in complex with HLA-B8/FLR | Descriptor: | Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ... | Authors: | Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J. | Deposit date: | 2008-12-03 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The shaping of T cell receptor recognition by self-tolerance. Immunity, 30, 2009
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4IKD
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![BU of 4ikd by Molmil](/molmil-images/mine/4ikd) | Crystal structure of SNX11 PX domain | Descriptor: | CHLORIDE ION, SODIUM ION, Sorting nexin-11 | Authors: | Xu, J, Xu, T, Liu, J. | Deposit date: | 2012-12-26 | Release date: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation to be published
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6GH9
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![BU of 6gh9 by Molmil](/molmil-images/mine/6gh9) | USP15 catalytic domain in complex with small molecule | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ... | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | Deposit date: | 2018-05-06 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel. J. Biol. Chem., 293, 2018
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1TVV
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![BU of 1tvv by Molmil](/molmil-images/mine/1tvv) | |
1CJY
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![BU of 1cjy by Molmil](/molmil-images/mine/1cjy) | HUMAN CYTOSOLIC PHOSPHOLIPASE A2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, PROTEIN (CYTOSOLIC PHOSPHOLIPASE A2) | Authors: | Dessen, A, Tang, J, Schmidt, H, Stahl, M, Clark, J.D, Seehra, J, Somers, W.S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human cytosolic phospholipase A2 reveals a novel topology and catalytic mechanism. Cell(Cambridge,Mass.), 97, 1999
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2P5B
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![BU of 2p5b by Molmil](/molmil-images/mine/2p5b) | The complex structure of JMJD2A and trimethylated H3K36 peptide | Descriptor: | FE (II) ION, Histone H3, JmjC domain-containing histone demethylation protein 3A, ... | Authors: | Zhang, G, Chen, Z, Zang, J, Hong, X, Shi, Y. | Deposit date: | 2007-03-14 | Release date: | 2007-06-12 | Last modified: | 2013-11-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of the recognition of a methylated histone tail by JMJD2A. Proc.Natl.Acad.Sci.USA, 104, 2007
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6GJR
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![BU of 6gjr by Molmil](/molmil-images/mine/6gjr) | Cyclophilin A complexed with tri-vector ligand 9. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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4INK
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![BU of 4ink by Molmil](/molmil-images/mine/4ink) | Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | Descriptor: | Serine protease SplD | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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6GJY
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![BU of 6gjy by Molmil](/molmil-images/mine/6gjy) | Cyclophilin A complexed with tri-vector ligand 5. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-17 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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1TVW
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![BU of 1tvw by Molmil](/molmil-images/mine/1tvw) | |
2HOU
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![BU of 2hou by Molmil](/molmil-images/mine/2hou) | Structure ensembles of duplex DNA containing a 4'-oxidized abasic site. | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(X4A)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-07-16 | Release date: | 2007-05-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structural studies and molecular modeling of duplex DNA containing normal and 4'-oxidized abasic sites. Biochemistry, 46, 2007
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1ZJY
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![BU of 1zjy by Molmil](/molmil-images/mine/1zjy) | Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NADH | Descriptor: | (1R)-1-PHENYLETHANOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | Deposit date: | 2005-05-02 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity J.Mol.Biol., 349, 2005
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3TZD
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![BU of 3tzd by Molmil](/molmil-images/mine/3tzd) | Crystal structure of the complex of Human Chromobox Homolog 3 (CBX3) | Descriptor: | Chromobox protein homolog 3, Histone H1.4 | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-27 | Release date: | 2012-03-07 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a. Plos One, 7, 2012
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2PAL
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![BU of 2pal by Molmil](/molmil-images/mine/2pal) | IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS | Descriptor: | MANGANESE (II) ION, PARVALBUMIN | Authors: | Declercq, J.P, Tinant, B, Parello, J, Rambaud, J. | Deposit date: | 1990-11-08 | Release date: | 1992-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments. J.Mol.Biol., 220, 1991
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2ZGA
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![BU of 2zga by Molmil](/molmil-images/mine/2zga) | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group) | Descriptor: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2008-01-21 | Release date: | 2009-02-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors J.Mol.Biol., 410, 2011
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