5KDI
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![BU of 5kdi by Molmil](/molmil-images/mine/5kdi) | How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold | Descriptor: | (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8 | Authors: | Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L. | Deposit date: | 2016-06-08 | Release date: | 2017-12-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family. J.Biol.Chem., 293, 2018
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3LQI
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3LK1
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![BU of 3lk1 by Molmil](/molmil-images/mine/3lk1) | X-ray structure of bovine SC0322,Ca(2+)-S100B | Descriptor: | 2-sulfanylbenzoic acid, CALCIUM ION, ETHYL MERCURY ION, ... | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | Deposit date: | 2010-01-26 | Release date: | 2010-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction. Int J High Throughput Screen, 2010, 2010
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3LMY
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![BU of 3lmy by Molmil](/molmil-images/mine/3lmy) | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G. | Deposit date: | 2010-02-01 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine To be Published
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5JG6
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![BU of 5jg6 by Molmil](/molmil-images/mine/5jg6) | APC11-Ubv shows role of noncovalent RING-Ubiquitin interactions in processive multiubiquitination and Ubiquitin chain elongation by APC/C | Descriptor: | Anaphase-promoting complex subunit 11, Polyubiquitin-B, ZINC ION | Authors: | Brown, N.G, Zhang, W, Yu, S, Miller, D.J, Sidhu, S.S, Schulman, B.A. | Deposit date: | 2016-04-19 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0013 Å) | Cite: | Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. Cell, 165, 2016
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3MNQ
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![BU of 3mnq by Molmil](/molmil-images/mine/3mnq) | Crystal structure of myosin-2 motor domain in complex with ADP-metavanadate and resveratrol | Descriptor: | 1,2-ETHANEDIOL, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Schneider, J, Taft, M, Backhaus, A, Baruch, P, Fedorov, R, Manstein, D.J. | Deposit date: | 2010-04-22 | Release date: | 2011-04-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of resveratrol regulation of myosin activity. To be Published
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5J7X
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![BU of 5j7x by Molmil](/molmil-images/mine/5j7x) | Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus | Descriptor: | Dimethylaniline monooxygenase, putative, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ferroni, F.M, Tolmie, C, Smit, M.S, Opperman, D.J. | Deposit date: | 2016-04-07 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase. Plos One, 11, 2016
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3N1F
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![BU of 3n1f by Molmil](/molmil-images/mine/3n1f) | Crystal Structure of IhhN bound to CDOFn3 | Descriptor: | CALCIUM ION, Cell adhesion molecule-related/down-regulated by oncogenes, Indian hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-15 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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3N1M
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![BU of 3n1m by Molmil](/molmil-images/mine/3n1m) | Crystal Structure of IhhN bound to BOCFn3 | Descriptor: | Brother of CDO, CALCIUM ION, Indian hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-15 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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5KRL
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![BU of 5krl by Molmil](/molmil-images/mine/5krl) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2-chloro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol | Descriptor: | (1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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3MYO
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![BU of 3myo by Molmil](/molmil-images/mine/3myo) | Crystal structure of tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes | Descriptor: | Tagatose 1,6-diphosphate aldolase 1 | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W. | Deposit date: | 2010-05-10 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation Febs Lett., 585, 2011
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3MKD
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![BU of 3mkd by Molmil](/molmil-images/mine/3mkd) | Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-2 heavy chain, ... | Authors: | Kathmann, D, Diensthuber, R.P, Fedorov, R, Manstein, D.J, Tsiavaliaris, G. | Deposit date: | 2010-04-14 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch-2 dependent modulation of the myosin power stroke To be Published
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5IWD
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![BU of 5iwd by Molmil](/molmil-images/mine/5iwd) | HCMV DNA polymerase subunit UL44 complex with a small molecule | Descriptor: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor | Authors: | Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions. ACS Infect Dis, 3, 2017
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5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | Descriptor: | Coumestrol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KRM
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![BU of 5krm by Molmil](/molmil-images/mine/5krm) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol | Descriptor: | (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KRK
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![BU of 5krk by Molmil](/molmil-images/mine/5krk) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | Descriptor: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KTZ
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![BU of 5ktz by Molmil](/molmil-images/mine/5ktz) | expanded poliovirus in complex with VHH 12B | Descriptor: | Genome polyprotein, VHH 12B, VP1, ... | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
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5KRJ
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![BU of 5krj by Molmil](/molmil-images/mine/5krj) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an a-naphthyl Substituted OBHS derivative | Descriptor: | Estrogen receptor, NCOA2, naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1C49
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![BU of 1c49 by Molmil](/molmil-images/mine/1c49) | STRUCTURAL AND FUNCTIONAL DIFFERENCES OF TWO TOXINS FROM THE SCORPION PANDINUS IMPERATOR | Descriptor: | TOXIN K-BETA | Authors: | Klenk, K.C, Tenenholz, T.C, Matteson, D.R, Rogowski, R.S, Blaustein, M.P, Weber, D.J. | Deposit date: | 1999-08-17 | Release date: | 2000-03-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural and functional differences of two toxins from the scorpion Pandinus imperator. Proteins, 38, 2000
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5IW5
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![BU of 5iw5 by Molmil](/molmil-images/mine/5iw5) | |
5IXK
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![BU of 5ixk by Molmil](/molmil-images/mine/5ixk) | RORgamma in complex with inverse agonist BIO399. | Descriptor: | N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma | Authors: | Marcotte, D.J. | Deposit date: | 2016-03-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol., 16, 2016
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3MYP
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![BU of 3myp by Molmil](/molmil-images/mine/3myp) | Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus | Descriptor: | Tagatose 1,6-diphosphate aldolase | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W. | Deposit date: | 2010-05-10 | Release date: | 2011-01-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation Febs Lett., 585, 2011
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5IZ0
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![BU of 5iz0 by Molmil](/molmil-images/mine/5iz0) | RORgamma in complex with agonist BIO592 and Coactivator EBI96 | Descriptor: | CHLORIDE ION, GLU-PHE-PRO-TYR-LEU-LEU-SER-LEU-LEU-GLY-GLU-VAL-SER-PRO-GLN, N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, ... | Authors: | Marcotte, D.J. | Deposit date: | 2016-03-24 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.635 Å) | Cite: | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol., 16, 2016
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3N1Q
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![BU of 3n1q by Molmil](/molmil-images/mine/3n1q) | Crystal Structure of DhhN bound to CDOFn3 | Descriptor: | CALCIUM ION, Cell adhesion molecule-related/down-regulated by oncogenes, Desert hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-16 | Release date: | 2010-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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1DF1
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![BU of 1df1 by Molmil](/molmil-images/mine/1df1) | MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Rosenfeld, R.J, Arvai, A.S, Ghosh, D.K, Ghosh, S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D. | Deposit date: | 1999-11-16 | Release date: | 1999-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | N-terminal domain swapping and metal ion binding in nitric oxide synthase dimerization. EMBO J., 18, 1999
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