6NOS
 
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1 | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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6BW2
 | | Mcl-1 complexed with small molecules | | Descriptor: | 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2017-12-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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6AJI
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6NOJ
 | | PD-L1 IgV domain V76T with fragment | | Descriptor: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | | Authors: | Zhao, B, Perry, E. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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6AJF
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6AJG
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6AJJ
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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6BW8
 | | Mcl-1 complexed with small molecules | | Descriptor: | 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2017-12-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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5WPX
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5WPY
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3EL3
 | | Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1 | | Descriptor: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | | Authors: | Zhao, B, Waterman, M.R. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
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3E5A
 | | Crystal structure of Aurora A in complex with VX-680 and TPX2 | | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | | Authors: | Zhao, B, Smallwood, A, Lai, Z. | | Deposit date: | 2008-08-13 | | Release date: | 2008-10-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
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3HA6
 | | Crystal structure of aurora A in complex with TPX2 and compound 10 | | Descriptor: | N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 | | Authors: | Zhao, B, Clark, M.A. | | Deposit date: | 2009-05-01 | | Release date: | 2009-08-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
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3HDM
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2NZA
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2NZ5
 | | Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2) | | Descriptor: | Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol | | Authors: | Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2006-11-22 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
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5JER
 | | Structure of Rotavirus NSP1 bound to IRF-3 | | Descriptor: | Interferon regulatory factor 3, Rotavirus NSP1 peptide | | Authors: | Zhao, B, Li, P. | | Deposit date: | 2016-04-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.913 Å) | | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8KIH
 | | PhmA, a type I diterpene synthase without NST/DTE motif | | Descriptor: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ... | | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | | Deposit date: | 2023-08-23 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8KI5
 | | PhmA, a type I diterpene synthase without NST/DTE motif | | Descriptor: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA | | Authors: | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5FDR
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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5FC4
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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1S1F
 | | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ... | | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | | Deposit date: | 2004-01-06 | | Release date: | 2005-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
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5JEL
 | | Phosphorylated TRIF in complex with IRF-3 | | Descriptor: | Interferon regulatory factor 3, Phosphorylated TRIF peptide | | Authors: | Zhao, B, Li, P. | | Deposit date: | 2016-04-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEO
 | | Phosphorylated Rotavirus NSP1 in complex with IRF-3 | | Descriptor: | Interferon regulatory factor 3, PHOSPHATE ION, Rotavirus NSP1 peptide | | Authors: | Zhao, B, Li, P. | | Deposit date: | 2016-04-18 | | Release date: | 2016-06-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.719 Å) | | Cite: | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1SE6
 | | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ... | | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | | Deposit date: | 2004-02-16 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
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