7NX0
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![BU of 7nx0 by Molmil](/molmil-images/mine/7nx0) | LTK:ALKAL1 complex stabilized by a Nanobody | Descriptor: | ALK and LTK ligand 1, Leukocyte tyrosine kinase receptor, Nb3.16, ... | Authors: | De Munck, S, Savvides, S.N. | Deposit date: | 2021-03-17 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of cytokine-mediated activation of ALK family receptors. Nature, 600, 2021
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2JIP
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![BU of 2jip by Molmil](/molmil-images/mine/2jip) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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7DAE
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![BU of 7dae by Molmil](/molmil-images/mine/7dae) | EPB in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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2JIO
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![BU of 2jio by Molmil](/molmil-images/mine/2jio) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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7DAF
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![BU of 7daf by Molmil](/molmil-images/mine/7daf) | IXA in complex with tubulin | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAD
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![BU of 7dad by Molmil](/molmil-images/mine/7dad) | EPD in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y, Wu, C. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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2JIQ
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![BU of 2jiq by Molmil](/molmil-images/mine/2jiq) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2JIM
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![BU of 2jim by Molmil](/molmil-images/mine/2jim) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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3V66
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![BU of 3v66 by Molmil](/molmil-images/mine/3v66) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | Deposit date: | 2011-12-18 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors Bioorg.Med.Chem., 20, 2012
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3HLC
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![BU of 3hlc by Molmil](/molmil-images/mine/3hlc) | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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2NQL
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![BU of 2nql by Molmil](/molmil-images/mine/2nql) | Crystal structure of a member of the enolase superfamily from Agrobacterium tumefaciens | Descriptor: | GLYCEROL, Isomerase/lactonizing enzyme, SODIUM ION, ... | Authors: | Patskovsky, Y, Ramagopal, U, Toro, R, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-10-31 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Enolase from Agrobacterium Tumefaciens C58 To be Published
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3RQ7
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![BU of 3rq7 by Molmil](/molmil-images/mine/3rq7) | Polo-like kinase 1 Polo box domain in complex with a C6H5(CH2)8-derivatized peptide inhibitor | Descriptor: | C6H5(CH2)8-derivatized peptide inhibitor, Serine/threonine-protein kinase PLK1 | Authors: | Liu, F, Park, J.-E, Qian, W.-J, Lim, D.C, Graber, M, Berg, T, Yaffe, M.B, Lee, K.S, Burke Jr, T.R. | Deposit date: | 2011-04-27 | Release date: | 2011-07-20 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Serendipitous alkylation of a Plk1 ligand uncovers a new binding channel. Nat.Chem.Biol., 7, 2011
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7HBI
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![BU of 7hbi by Molmil](/molmil-images/mine/7hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | 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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6R9Z
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3RTF
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2B1Z
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![BU of 2b1z by Molmil](/molmil-images/mine/2b1z) | Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide | Descriptor: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin. Steroids, 73, 2008
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1AUS
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![BU of 1aus by Molmil](/molmil-images/mine/1aus) | ACTIVATED UNLIGANDED SPINACH RUBISCO | Descriptor: | FORMIC ACID, MAGNESIUM ION, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE | Authors: | Taylor, T.C, Andersson, I. | Deposit date: | 1995-06-21 | Release date: | 1995-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a product complex of spinach ribulose-1,5-bisphosphate carboxylase/oxygenase. Biochemistry, 36, 1997
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1VJB
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![BU of 1vjb by Molmil](/molmil-images/mine/1vjb) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-03 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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3Q0Z
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![BU of 3q0z by Molmil](/molmil-images/mine/3q0z) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-12-16 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus. Bioorg.Med.Chem.Lett., 21, 2011
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2VZY
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![BU of 2vzy by Molmil](/molmil-images/mine/2vzy) | Crystal structure of Rv0802c from Mycobacterium tuberculosis in an unliganded form. | Descriptor: | 2-ETHOXYETHANOL, ACETATE ION, CITRATE ANION, ... | Authors: | Vetting, M.W, Errey, J.C, Blanchard, J.S. | Deposit date: | 2008-08-07 | Release date: | 2009-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rv0802C from Mycobacterium Tuberculosis: The First Structure of a Succinyltransferase with the Gnat Fold. Acta Crystallogr.,Sect.F, 64, 2008
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1D5F
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![BU of 1d5f by Molmil](/molmil-images/mine/1d5f) | STRUCTURE OF E6AP: INSIGHTS INTO UBIQUITINATION PATHWAY | Descriptor: | E6AP HECT CATALYTIC DOMAIN, E3 LIGASE | Authors: | Huang, L, Kinnucan, E, Wang, G, Beaudenon, S, Howley, P.M, Huibregtse, J.M, Pavletich, N.P. | Deposit date: | 1999-10-07 | Release date: | 1999-11-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an E6AP-UbcH7 complex: insights into ubiquitination by the E2-E3 enzyme cascade. Science, 286, 1999
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1Y9R
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![BU of 1y9r by Molmil](/molmil-images/mine/1y9r) | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone and harboring the S810L mutation responsible for a severe form of hypertension | Descriptor: | DESOXYCORTICOSTERONE, Mineralocorticoid receptor | Authors: | Fagart, J, Huyet, J, Pinon, G.M, Rochel, M, Mayer, C, Rafestin-Oblin, M.E. | Deposit date: | 2004-12-16 | Release date: | 2005-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension Nat.Struct.Mol.Biol., 12, 2005
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3RT6
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4QS8
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3RT8
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![BU of 3rt8 by Molmil](/molmil-images/mine/3rt8) | |