5J6C
 
 | | FMN-dependent Nitroreductase (CDR20291_0767) from Clostridium difficile R20291 | | Descriptor: | FLAVIN MONONUCLEOTIDE, IMIDAZOLE, Putative reductase | | Authors: | Powell, S.M, Wang, B, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B. | | Deposit date: | 2016-04-04 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole.
Nitric Oxide, 60, 2016
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6LKT
 | | Crystal structure of the Fab fragment of murine monoclonal antibody KH-1 against Human herpesvirus 6B | | Descriptor: | antibody Fab Fragment L-chain, antibody Fab fragment H chain | | Authors: | Nishimura, M, Novita, B.D, Kato, T, Tjan, L.H, Wang, B, Wakata, A, Poetranto, A.L, Kawabata, A, Tang, H, Aoshi, T, Mori, Y. | | Deposit date: | 2019-12-20 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the interaction of human herpesvirus 6B tetrameric glycoprotein complex with the cellular receptor, human CD134.
Plos Pathog., 16, 2020
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5LQG
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5LQH
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5LIG
 | | G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2 | | Descriptor: | 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate, DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3') | | Authors: | Kotar, A, Wang, B, Shivalingam, A, Gonzalez-Garcia, J, Vilar, R, Plavec, J. | | Deposit date: | 2016-07-14 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of a Triangulenium-Based Long-Lived Fluorescence Probe Bound to a G-Quadruplex.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7TZL
 | | The DH dehydratase domain of AlnB | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | | Authors: | Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L. | | Deposit date: | 2022-02-16 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase
To Be Published
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4AOJ
 | | Human TrkA in complex with the inhibitor AZ-23 | | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
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6SX6
 | | Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs | | Descriptor: | GCn | | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | | Deposit date: | 2019-09-25 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
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6SYK
 | | Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair | | Descriptor: | GCnCG | | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | | Deposit date: | 2019-09-30 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
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3ID2
 | | Crystal Structure of RseP PDZ2 domain | | Descriptor: | IODIDE ION, Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID4
 | | Crystal Structure of RseP PDZ2 domain fused GKASPV peptide | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID1
 | | Crystal Structure of RseP PDZ1 domain | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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3ID3
 | | Crystal Structure of RseP PDZ2 I304A domain | | Descriptor: | Regulator of sigma E protease | | Authors: | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
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8HB9
 | | Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | | Deposit date: | 2022-10-27 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
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5EPO
 | | The three-dimensional structure of Clostridium absonum 7alpha-hydroxysteroid dehydrogenase | | Descriptor: | 7-alpha-hydroxysteroid deydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lou, D, Wang, B, Wang, F. | | Deposit date: | 2015-11-12 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The three-dimensional structure of Clostridium absonum 7 alpha-hydroxysteroid dehydrogenase: new insights into the conserved arginines for NADP(H) recognition
Sci Rep, 6, 2016
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6OTT
 | | Structure of PurF in complex with ppApp | | Descriptor: | Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ... | | Authors: | Grant, R.A, Wang, B, Laub, M.T. | | Deposit date: | 2019-05-03 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp.
Nature, 575, 2019
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8C41
 | | High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... | | Authors: | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2022-12-30 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
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5ANM
 | | Crystal structure of IgE Fc in complex with a neutralizing antibody | | Descriptor: | IG EPSILON CHAIN C REGION, IMMUNOGLOBULIN G, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cohen, E.S, Dobson, C.L, Kack, H, Wang, B, Sims, D.A, Lloyd, C.O, England, E, Rees, D.G, Guo, H, Karagiannis, S.N, O'Brien, S, Persdotter, S, Ekdahl, H, Butler, R, Keyes, F, Oakley, S, Carlsson, M, Briend, E, Wilkinson, T, Anderson, I.K, Monk, P.D, vonWachenfeldt, K, Eriksson, P.O, Gould, H.J, Vaughan, T.J, May, R.D. | | Deposit date: | 2015-09-07 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Novel Ige-Neutralizing Antibody for the Treatment of Severe Uncontrolled Asthma.
Mabs, 6, 2015
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7JSJ
 | | Structure of the NaCT-PF2 complex | | Descriptor: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT.
Nature, 591, 2021
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7JSK
 | | Structure of the NaCT-Citrate complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SODIUM ION, ... | | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT.
Nature, 591, 2021
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1A38
 | | 14-3-3 PROTEIN ZETA BOUND TO R18 PEPTIDE | | Descriptor: | 14-3-3 PROTEIN ZETA, R18 PEPTIDE (PHCVPRDLSWLDLEANMCLP) | | Authors: | Petosa, C, Masters, S.C, Pohl, J, Wang, B, Fu, H, Liddington, R.C. | | Deposit date: | 1998-01-28 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | 14-3-3zeta binds a phosphorylated Raf peptide and an unphosphorylated peptide via its conserved amphipathic groove.
J.Biol.Chem., 273, 1998
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1A37
 | | 14-3-3 PROTEIN ZETA BOUND TO PS-RAF259 PEPTIDE | | Descriptor: | 14-3-3 PROTEIN ZETA, PS-RAF259 PEPTIDE LSQRQRST(SEP)TPNVHM | | Authors: | Petosa, C, Masters, S.C, Pohl, J, Wang, B, Fu, H, Liddington, R.C. | | Deposit date: | 1998-01-28 | | Release date: | 1999-03-02 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | 14-3-3zeta binds a phosphorylated Raf peptide and an unphosphorylated peptide via its conserved amphipathic groove.
J.Biol.Chem., 273, 1998
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1YSG
 | | Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands | | Descriptor: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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7DCN
 | | Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase | | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION | | Authors: | Xu, H, Wang, B, Su, X.D. | | Deposit date: | 2020-10-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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1YSW
 | | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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