1O8Z
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![BU of 1o8z by Molmil](/molmil-images/mine/1o8z) | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, cis-trans-trans conformer (ct-A) | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Marx, U.C, Craik, D.J. | Deposit date: | 2002-12-09 | Release date: | 2003-03-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide J.Biol.Chem., 278, 2003
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2AXE
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![BU of 2axe by Molmil](/molmil-images/mine/2axe) | IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | Deposit date: | 1998-09-01 | Release date: | 1999-05-18 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase. Acta Crystallogr.,Sect.D, 55, 1999
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1OEY
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![BU of 1oey by Molmil](/molmil-images/mine/1oey) | Heterodimer of p40phox and p67phox PB1 domains from human NADPH oxidase | Descriptor: | NEUTROPHIL CYTOSOL FACTOR 2, NEUTROPHIL CYTOSOL FACTOR 4 | Authors: | Wilson, M.I, Gill, D.J, Perisic, O, Quinn, M.T, Williams, R.L. | Deposit date: | 2003-04-02 | Release date: | 2003-07-29 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pb1 Domain-Mediated Heterodimerization in Nadph Oxidase and Signaling Complexes of Atypical Protein Kinase C with Par6 and P62 Mol.Cell, 12, 2003
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2B4Q
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![BU of 2b4q by Molmil](/molmil-images/mine/2b4q) | Pseudomonas aeruginosa RhlG/NADP active-site complex | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Miller, D.J, White, S.W. | Deposit date: | 2005-09-26 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of RhlG, an Essential beta-Ketoacyl Reductase in the Rhamnolipid Biosynthetic Pathway of Pseudomonas aeruginosa. J.Biol.Chem., 281, 2006
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1NP0
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![BU of 1np0 by Molmil](/molmil-images/mine/1np0) | Human lysosomal beta-hexosaminidase isoform B in complex with intermediate analogue NAG-thiazoline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit beta, ... | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | Deposit date: | 2003-01-16 | Release date: | 2003-04-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease J.Mol.Biol., 327, 2003
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2ATG
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![BU of 2atg by Molmil](/molmil-images/mine/2atg) | NMR structure of Retrocyclin-2 in SDS | Descriptor: | Retrocyclin-2 | Authors: | Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J. | Deposit date: | 2005-08-24 | Release date: | 2005-09-06 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin Biochemistry, 46, 2007
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1NTA
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![BU of 1nta by Molmil](/molmil-images/mine/1nta) | 2.9 A crystal structure of Streptomycin RNA-aptamer | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', BARIUM ION, ... | Authors: | Tereshko, V, Skripkin, E, Patel, D.J. | Deposit date: | 2003-01-29 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Encapsulating Streptomycin within a small 40-mer RNA CHEM.BIOL., 10, 2003
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2AHX
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![BU of 2ahx by Molmil](/molmil-images/mine/2ahx) | Crystal structure of ErbB4/HER4 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4, SULFATE ION, ... | Authors: | Bouyain, S, Longo, P.A, Li, S, Ferguson, K.M, Leahy, D.J. | Deposit date: | 2005-07-28 | Release date: | 2005-09-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | The extracellular region of ErbB4 adopts a tethered conformation in the absence of ligand Proc.Natl.Acad.Sci.USA, 102, 2005
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1O8Y
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![BU of 1o8y by Molmil](/molmil-images/mine/1o8y) | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, trans-trans-trans conformer (tt-A) | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Marx, U.C, Craik, D.J. | Deposit date: | 2002-12-09 | Release date: | 2003-03-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide J.Biol.Chem., 278, 2003
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5W93
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![BU of 5w93 by Molmil](/molmil-images/mine/5w93) | p130Cas complex with paxillin LD1 | Descriptor: | Breast cancer anti-estrogen resistance protein 1, Paxillin | Authors: | Miller, D.J, Zheng, J.J. | Deposit date: | 2017-06-22 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional insights into the interaction between the Cas family scaffolding protein p130Cas and the focal adhesion-associated protein paxillin. J. Biol. Chem., 292, 2017
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2AQ7
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![BU of 2aq7 by Molmil](/molmil-images/mine/2aq7) | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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2AQY
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2C1X
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![BU of 2c1x by Molmil](/molmil-images/mine/2c1x) | Structure and activity of a flavonoid 3-O glucosyltransferase reveals the basis for plant natural product modification | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UDP-GLUCOSE FLAVONOID 3-O GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Offen, W, Martinez-Fleites, C, Kiat-Lim, E, Yang, M, Davis, B.G, Tarling, C.A, Ford, C.M, Bowles, D.J, Davies, G.J. | Deposit date: | 2005-09-22 | Release date: | 2006-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification. Embo J., 25, 2006
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2BGD
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![BU of 2bgd by Molmil](/molmil-images/mine/2bgd) | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | Descriptor: | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | Deposit date: | 2004-12-21 | Release date: | 2005-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1NZ0
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![BU of 1nz0 by Molmil](/molmil-images/mine/1nz0) | RNASE P PROTEIN FROM THERMOTOGA MARITIMA | Descriptor: | Ribonuclease P protein component, SULFATE ION | Authors: | Kazantsev, A.V, Krivenko, A.A, Harrington, D.J, Carter, R.J, Holbrook, S.R, Adams, P.D, Pace, N.R, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2003-02-14 | Release date: | 2003-06-24 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution structure of RNase P protein from Thermotoga maritima. Proc.Natl.Acad.Sci.USA, 100, 2003
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5U31
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![BU of 5u31 by Molmil](/molmil-images/mine/5u31) | Crystal structure of AacC2c1-sgRNA-8mer substrate DNA ternary complex | Descriptor: | CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ... | Authors: | Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J. | Deposit date: | 2016-12-01 | Release date: | 2017-01-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease. Cell, 167, 2016
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2AU0
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![BU of 2au0 by Molmil](/molmil-images/mine/2au0) | Unmodified preinsertion binary complex | Descriptor: | 5'-D(*CP*TP*AP*AP*CP*G*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', CALCIUM ION, ... | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2005-08-26 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion Plos Biol., 4, 2006
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2AYR
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![BU of 2ayr by Molmil](/molmil-images/mine/2ayr) | A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats | Descriptor: | 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor | Authors: | Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A. | Deposit date: | 2005-09-07 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats J.Med.Chem., 48, 2005
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5J5S
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![BU of 5j5s by Molmil](/molmil-images/mine/5j5s) | Src kinase in complex with a sulfonamide inhibitor | Descriptor: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | Deposit date: | 2016-04-03 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors To Be Published
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5V8E
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![BU of 5v8e by Molmil](/molmil-images/mine/5v8e) | Structure of Bacillus cereus PatB1 | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
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8CVN
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![BU of 8cvn by Molmil](/molmil-images/mine/8cvn) | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-18 | Release date: | 2023-03-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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2CB4
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![BU of 2cb4 by Molmil](/molmil-images/mine/2cb4) | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E197Q | Descriptor: | MOSQUITOCIDAL TOXIN | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2005-12-29 | Release date: | 2006-02-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus. J.Mol.Biol., 357, 2006
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5VH2
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![BU of 5vh2 by Molmil](/molmil-images/mine/5vh2) | |
5LJO
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![BU of 5ljo by Molmil](/molmil-images/mine/5ljo) | E. coli BAM complex (BamABCDE) by cryoEM | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | Deposit date: | 2016-07-19 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM. Nat Commun, 7, 2016
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8CWL
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![BU of 8cwl by Molmil](/molmil-images/mine/8cwl) | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-19 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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