4UQI
 
 | | AP2 controls clathrin polymerization with a membrane-activated switch | | Descriptor: | AP-2 COMPLEX SUBUNIT ALPHA-2, AP-2 COMPLEX SUBUNIT BETA, AP-2 COMPLEX SUBUNIT MU, ... | | Authors: | Kelly, B.T, Graham, S.C, Liska, N, Dannhauser, P.N, Hoening, S, Ungewickell, E.J, Owen, D.J. | | Deposit date: | 2014-06-23 | | Release date: | 2014-07-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Clathrin Adaptors. Ap2 Controls Clathrin Polymerization with a Membrane-Activated Switch.
Science, 345, 2014
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1LXC
 | | Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor | | Descriptor: | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F. | | Deposit date: | 2002-06-05 | | Release date: | 2002-09-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
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4ENC
 | | Crystal structure of fluoride riboswitch | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.272 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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1M7Z
 | | Structure of Nitric Oxide Synthase Heme Protein from Bacillus Subtilis with N-Hydroxy-Arginine and Tetrahydrofolate Bound | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, N-OMEGA-HYDROXY-L-ARGININE, Nitric oxide synthase, ... | | Authors: | Pant, K, Bilwes, A.M, Adak, S, Stuehr, D.J, Crane, B.R. | | Deposit date: | 2002-07-23 | | Release date: | 2002-10-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of a nitric oxide synthase heme protein from Bacillus subtilis.
Biochemistry, 41, 2002
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4EZH
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2A5P
 | | Monomeric parallel-stranded DNA tetraplex with snap-back 3+1 3' G-tetrad, single-residue chain reversal loops, GAG triad in the context of GAAG diagonal loop, NMR, 8 struct. | | Descriptor: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*IP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3' | | Authors: | Phan, A.T, Kuryavyi, V.V, Gaw, H.Y, Patel, D.J. | | Deposit date: | 2005-06-30 | | Release date: | 2005-07-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Small-molecule interaction with a five-guanine-tract G-quadruplex structure from the human MYC promoter.
Nat.Chem.Biol., 1, 2005
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143D
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1M01
 | | Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | | Deposit date: | 2002-06-11 | | Release date: | 2003-01-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state.
J.Biol.Chem., 277, 2002
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107D
 | | SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX | | Descriptor: | 4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*CP*CP*TP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*GP*G)-3') | | Authors: | Lin, C.H, Patel, D.J. | | Deposit date: | 1995-01-17 | | Release date: | 1995-05-08 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the covalent duocarmycin A-DNA duplex complex.
J.Mol.Biol., 248, 1995
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1M6P
 | | EXTRACYTOPLASMIC DOMAIN OF BOVINE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR | | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, CATION-DEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, MANGANESE (II) ION | | Authors: | Roberts, D.L, Weix, D.J, Dahms, N.M, Kim, J.J.-P. | | Deposit date: | 1998-04-19 | | Release date: | 1999-04-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis of lysosomal enzyme recognition: three-dimensional structure of the cation-dependent mannose 6-phosphate receptor.
Cell(Cambridge,Mass.), 93, 1998
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1MKO
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6CMJ
 | | Human CAMKK2 with GSK650393 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H. | | Deposit date: | 2018-03-05 | | Release date: | 2018-04-04 | | Last modified: | 2018-05-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
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6CP2
 | | SidC in complex with UbcH7~Ub | | Descriptor: | Polyubiquitin-B, SidC, Ubiquitin-conjugating enzyme E2 L3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
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6CP0
 | | SdcA in complex with the E2, UbcH5C | | Descriptor: | SdcA, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
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1MFP
 | | E. coli Enoyl Reductase in complex with NAD and SB611113 | | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | | Deposit date: | 2002-08-13 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
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2AR9
 | | Crystal structure of a dimeric caspase-9 | | Descriptor: | Caspase-9, D-MALATE | | Authors: | Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y. | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
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4EZ4
 | | free KDM6B structure | | Descriptor: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Cheng, Z.J, Patel, D.J. | | Deposit date: | 2012-05-02 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
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2ASD
 | | oxoG-modified Insertion Ternary Complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*T*AP*AP*CP*(8OG)P*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', ... | | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2005-08-23 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion
Plos Biol., 4, 2006
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2AQB
 | | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-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 (2.19 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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1M31
 | | Three-Dimensional Solution Structure of Apo-Mts1 | | Descriptor: | Placental calcium-binding protein | | Authors: | Vallely, K.M, Rustandi, R.R, Ellis, K.C, Varlamova, O, Bresnick, A.R, Weber, D.J. | | Deposit date: | 2002-06-26 | | Release date: | 2002-10-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human Mts1 (S100A4) as determined by NMR spectroscopy.
Biochemistry, 41, 2002
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4FQO
 | | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | | Descriptor: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | | Authors: | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | | Deposit date: | 2012-06-25 | | Release date: | 2012-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
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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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1ZVD
 | | Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT domain | | Descriptor: | PHOSPHATE ION, SODIUM ION, Smad ubiquitination regulatory factor 2 | | Authors: | Ogunjimi, A.A, Briant, D.J, Pece-Barbara, N, Le Roy, C, Di Guglielmo, G.M, Kavsak, P, Rasmussen, R.K, Seet, B.T, Sicheri, F, Wrana, J.L. | | Deposit date: | 2005-06-01 | | Release date: | 2005-08-09 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT Domain.
Mol.Cell, 19, 2005
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6CKR
 | | Crystal Structure of BRD4 with QC4956 | | Descriptor: | Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | | Authors: | Hosfield, D.J. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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1A8W
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