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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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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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: | 2016-08-17 | | 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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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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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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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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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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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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8FDJ
 | | Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene | | Descriptor: | Myoglobin, NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 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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2YXM
 | | Crystal structure of I-set domain of human Myosin Binding ProteinC | | Descriptor: | Myosin-binding protein C, slow-type | | Authors: | Kishishita, S, Ohsawa, N, Murayama, K, Chen, L, Liu, Z, Terada, T, Shirouzu, M, Wang, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-26 | | Release date: | 2007-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of I-set domain of human Myosin Binding ProteinC
To be Published
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6VKJ
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6CF0
 | | Sperm Whale Myoglobin H64V Mutant with Nitrite | | Descriptor: | GLYCEROL, Myoglobin, NITRITE ION, ... | | Authors: | Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2018-02-13 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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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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7DCM
 | | Crystal structure of CITX | | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION | | Authors: | Xu, H, Wang, B, Su, X.D. | | Deposit date: | 2020-10-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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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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7M1S
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7MJV
 | | MiaB in the complex with s-adenosylmethionine and RNA | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. | | Deposit date: | 2021-04-20 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Nature, 597, 2021
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