3DBG
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5IF4
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![BU of 5if4 by Molmil](/molmil-images/mine/5if4) | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | Descriptor: | 4-{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-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2016-02-25 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett., 591, 2017
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2R5T
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![BU of 2r5t by Molmil](/molmil-images/mine/2r5t) | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | Deposit date: | 2007-09-04 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP. Protein Sci., 16, 2007
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2SN3
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![BU of 2sn3 by Molmil](/molmil-images/mine/2sn3) | STRUCTURE OF SCORPION TOXIN VARIANT-3 AT 1.2 ANGSTROMS RESOLUTION | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, SCORPION NEUROTOXIN (VARIANT 3) | Authors: | Zhao, B, Carson, M, Ealick, S.E, Bugg, C.E. | Deposit date: | 1992-02-20 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of scorpion toxin variant-3 at 1.2 A resolution. J.Mol.Biol., 227, 1992
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5VQP
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![BU of 5vqp by Molmil](/molmil-images/mine/5vqp) | Crystal structure of human pro-TGF-beta1 | Descriptor: | Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | Deposit date: | 2017-05-09 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
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5UJB
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![BU of 5ujb by Molmil](/molmil-images/mine/5ujb) | Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin | Descriptor: | 4-{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-6-carboxylic acid, PHOSPHATE ION, Serum albumin | Authors: | Zhao, B. | Deposit date: | 2017-01-17 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin. Bioorg. Med. Chem., 25, 2017
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5IEZ
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![BU of 5iez by Molmil](/molmil-images/mine/5iez) | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | Descriptor: | 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2016-02-25 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett., 591, 2017
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5JEK
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![BU of 5jek by Molmil](/molmil-images/mine/5jek) | Phosphorylated MAVS in complex with IRF-3 | Descriptor: | Interferon regulatory factor 3, MAVS peptide | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (2.4 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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1NVQ
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![BU of 1nvq by Molmil](/molmil-images/mine/1nvq) | The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | Descriptor: | 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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5JEL
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![BU of 5jel by Molmil](/molmil-images/mine/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: | 2016-06-29 | 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
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![BU of 5jeo by Molmil](/molmil-images/mine/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: | 2016-06-29 | 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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5JEM
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![BU of 5jem by Molmil](/molmil-images/mine/5jem) | Complex of IRF-3 with CBP | Descriptor: | CREB-binding protein, Interferon regulatory factor 3 | Authors: | Zhao, B, Li, P. | Deposit date: | 2016-04-18 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 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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5JER
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![BU of 5jer by Molmil](/molmil-images/mine/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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1NVS
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![BU of 1nvs by Molmil](/molmil-images/mine/1nvs) | The Complex Structure Of Checkpoint Kinase Chk1/SB218078 | Descriptor: | Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVR
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![BU of 1nvr by Molmil](/molmil-images/mine/1nvr) | The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine | Descriptor: | Peptide ASVSA, STAUROSPORINE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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3PDF
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![BU of 3pdf by Molmil](/molmil-images/mine/3pdf) | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, B, Laine, D. | Deposit date: | 2010-10-22 | Release date: | 2011-10-26 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C. Acs Med.Chem.Lett., 2, 2011
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5U0C
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5U0B
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![BU of 5u0b by Molmil](/molmil-images/mine/5u0b) | Structure of full-length Zika virus NS5 | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Zhao, B, Du, F. | Deposit date: | 2016-11-23 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and function of the Zika virus full-length NS5 protein. Nat Commun, 8, 2017
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4ZBF
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![BU of 4zbf by Molmil](/molmil-images/mine/4zbf) | Mcl-1 complexed with small molecules | Descriptor: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-04-14 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design. J.Med.Chem., 58, 2015
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4ZBI
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![BU of 4zbi by Molmil](/molmil-images/mine/4zbi) | Mcl-1 complexed with small molecules | Descriptor: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-04-14 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design. J.Med.Chem., 58, 2015
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4QTH
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![BU of 4qth by Molmil](/molmil-images/mine/4qth) | Crystal structure of anti-uPAR Fab 8B12 | Descriptor: | anti-uPAR antibody, heavy chain, light chain | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | Deposit date: | 2014-07-08 | Release date: | 2015-02-25 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation. J.Mol.Biol., 427, 2015
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4QTI
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![BU of 4qti by Molmil](/molmil-images/mine/4qti) | Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12 | Descriptor: | Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ... | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | Deposit date: | 2014-07-08 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation. J.Mol.Biol., 427, 2015
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3EL3
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![BU of 3el3 by Molmil](/molmil-images/mine/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
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![BU of 3e5a by Molmil](/molmil-images/mine/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: | 2023-08-30 | 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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5DE9
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![BU of 5de9 by Molmil](/molmil-images/mine/5de9) | The role of Ile87 of CYP158A2 in oxidative coupling reaction | Descriptor: | Biflaviolin synthase CYP158A2, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE | Authors: | Zhao, B. | Deposit date: | 2015-08-25 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The role of Ile87 of CYP158A2 in oxidative coupling reaction. Arch. Biochem. Biophys., 518, 2012
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