4CLI
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![BU of 4cli by Molmil](/molmil-images/mine/4cli) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with PF- 06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16, 17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-14 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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3VMR
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![BU of 3vmr by Molmil](/molmil-images/mine/3vmr) | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin | Descriptor: | MOENOMYCIN, Monofunctional glycosyltransferase | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | Deposit date: | 2011-12-15 | Release date: | 2012-04-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.688 Å) | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism Proc.Natl.Acad.Sci.USA, 109, 2012
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4ZQP
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![BU of 4zqp by Molmil](/molmil-images/mine/4zqp) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1 | Descriptor: | 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
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3MZ8
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![BU of 3mz8 by Molmil](/molmil-images/mine/3mz8) | Crystal Structure of Zinc-Bound Natrin From Naja atra | Descriptor: | Natrin-1, ZINC ION | Authors: | Wang, Y.L, Hsieh, Y.C, Liu, J.S, Chen, C.J, Wu, W.G. | Deposit date: | 2010-05-12 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cobra CRISP functions as an inflammatory modulator via a novel Zn2+- and heparan sulfate- dependent transcriptional regulation of endothelial cell adhesion molecules J.Biol.Chem., 285, 2010
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7D68
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![BU of 7d68 by Molmil](/molmil-images/mine/7d68) | Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex | Descriptor: | Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-29 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor. Cell Res., 30, 2020
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2R57
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![BU of 2r57 by Molmil](/molmil-images/mine/2r57) | |
7Q06
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![BU of 7q06 by Molmil](/molmil-images/mine/7q06) | Crystal structure of TPADO in complex with 2-OH-TPA | Descriptor: | 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2021-10-14 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q05
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![BU of 7q05 by Molmil](/molmil-images/mine/7q05) | Crystal structure of TPADO in complex with TPA | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2021-10-14 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism. Proc.Natl.Acad.Sci.USA, 119, 2022
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4CMT
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![BU of 4cmt by Molmil](/molmil-images/mine/4cmt) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)- 5-(3-(methylsulfonyl)phenyl)pyridin-2-amine | Descriptor: | 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-17 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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4ZZD
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![BU of 4zzd by Molmil](/molmil-images/mine/4zzd) | |
4KFN
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![BU of 4kfn by Molmil](/molmil-images/mine/4kfn) | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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3N2E
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![BU of 3n2e by Molmil](/molmil-images/mine/3n2e) | Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535 | Descriptor: | 7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid, L(+)-TARTARIC ACID, Shikimate kinase | Authors: | Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C. | Deposit date: | 2010-05-18 | Release date: | 2011-05-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism Plos One, 7, 2012
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2R58
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![BU of 2r58 by Molmil](/molmil-images/mine/2r58) | |
5HY6
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![BU of 5hy6 by Molmil](/molmil-images/mine/5hy6) | |
5HBI
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![BU of 5hbi by Molmil](/molmil-images/mine/5hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-24 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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1A6I
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![BU of 1a6i by Molmil](/molmil-images/mine/1a6i) | TET REPRESSOR, CLASS D VARIANT | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1998-02-25 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes of the Tet repressor induced by tetracycline trapping. J.Mol.Biol., 279, 1998
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5HCK
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![BU of 5hck by Molmil](/molmil-images/mine/5hck) | HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HEMATOPOIETIC CELL KINASE | Authors: | Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A. | Deposit date: | 1998-03-09 | Release date: | 1998-06-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the human Hck SH3 domain and identification of its ligand binding site. J.Mol.Biol., 278, 1998
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4KU8
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![BU of 4ku8 by Molmil](/molmil-images/mine/4ku8) | Structures of PKGI Reveal a cGMP-Selective Activation Mechanism | Descriptor: | GLYCINE, cGMP-dependent Protein Kinase 1 | Authors: | Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C. | Deposit date: | 2013-05-21 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure, 22, 2014
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7NP7
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![BU of 7np7 by Molmil](/molmil-images/mine/7np7) | Structure of an intact ESX-5 inner membrane complex, Composite C1 model | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ... | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPU
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![BU of 7npu by Molmil](/molmil-images/mine/7npu) | MycP5-free ESX-5 inner membrane complex, state I | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.48 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPR
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![BU of 7npr by Molmil](/molmil-images/mine/7npr) | Structure of an intact ESX-5 inner membrane complex, Composite C3 model | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ... | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPV
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![BU of 7npv by Molmil](/molmil-images/mine/7npv) | MycP5-free ESX-5 inner membrane complex, State II | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.66 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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3MUF
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![BU of 3muf by Molmil](/molmil-images/mine/3muf) | Shikimate kinase from Helicobacter pylori in complex with shikimate-3-phosphate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE-3-PHOSPHATE, Shikimate kinase | Authors: | Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C. | Deposit date: | 2010-05-03 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism Plos One, 7, 2012
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | Deposit date: | 2008-08-08 | Release date: | 2009-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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4CMO
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![BU of 4cmo by Molmil](/molmil-images/mine/4cmo) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 2-((1R)-1-((3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl) oxy)ethyl)-4-fluoro-N-methylbenzamide | Descriptor: | 2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-16 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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