6PYA
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6PYF
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![BU of 6pyf by Molmil](/molmil-images/mine/6pyf) | Sex Hormone-binding globulin mutant E176K in complex with Estradiol | Descriptor: | CALCIUM ION, ESTRADIOL, Sex hormone-binding globulin | Authors: | Round, P.W, Wu, T.S, Das, S, Van Petegem, F. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity. J.Biol.Chem., 295, 2020
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6PYB
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![BU of 6pyb by Molmil](/molmil-images/mine/6pyb) | Sex Hormone-binding globulin mutant E176K in complex with DVT | Descriptor: | 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol), CALCIUM ION, Sex hormone-binding globulin | Authors: | Round, P.W, Das, S, Van Petegem, F. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2020-02-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity. J.Biol.Chem., 295, 2020
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2YHY
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![BU of 2yhy by Molmil](/molmil-images/mine/2yhy) | Structure of N-Acetylmannosamine kinase in complex with N- acetylmannosamine and ADP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Reutter, W, Fan, H, Saenger, W, Moniot, S. | Deposit date: | 2011-05-10 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition J.Biol.Chem., 287, 2012
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5OW7
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![BU of 5ow7 by Molmil](/molmil-images/mine/5ow7) | VDR complex | Descriptor: | (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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5OW9
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![BU of 5ow9 by Molmil](/molmil-images/mine/5ow9) | Vitamin D receptor complex | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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5OWD
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![BU of 5owd by Molmil](/molmil-images/mine/5owd) | Vitamin D receptor complex | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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2PNU
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![BU of 2pnu by Molmil](/molmil-images/mine/2pnu) | Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744 | Descriptor: | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R. | Deposit date: | 2007-04-25 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12. J.Biol.Chem., 282, 2007
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3ZU7
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3ZUV
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2GW9
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![BU of 2gw9 by Molmil](/molmil-images/mine/2gw9) | High-resolution solution structure of the mouse defensin Cryptdin4 | Descriptor: | Defensin-related cryptdin 4 | Authors: | Rosengren, K.J, Craik, D.J, Vogel, H.J, Daly, N.L, Ouellette, A.J. | Deposit date: | 2006-05-04 | Release date: | 2006-07-25 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structural and functional characterization of the conserved salt bridge in mammalian paneth cell alpha-defensins: solution structures of mouse CRYPTDIN-4 and (E15D)-CRYPTDIN-4. J.Biol.Chem., 281, 2006
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2GWP
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![BU of 2gwp by Molmil](/molmil-images/mine/2gwp) | High-resolution solution structure of the salt-bridge defficient mouse defensin (E15D)-Cryptdin4 | Descriptor: | Defensin-related cryptdin 4 | Authors: | Rosengren, K.J, Craik, D.J, Vogel, H.J, Daly, N.L, Ouellette, A.J. | Deposit date: | 2006-05-05 | Release date: | 2006-07-25 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Structural and functional characterization of the conserved salt bridge in mammalian paneth cell alpha-defensins: solution structures of mouse CRYPTDIN-4 and (E15D)-CRYPTDIN-4. J.Biol.Chem., 281, 2006
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4V0P
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![BU of 4v0p by Molmil](/molmil-images/mine/4v0p) | Crystal structure of the MAGE homology domain of human MAGE-A3 | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 3 | Authors: | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2014-09-17 | Release date: | 2014-10-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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5ORB
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![BU of 5orb by Molmil](/molmil-images/mine/5orb) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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5A9D
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![BU of 5a9d by Molmil](/molmil-images/mine/5a9d) | Crystal structure of the extracellular domain of PepT1 | Descriptor: | GLYCEROL, SOLUTE CARRIER FAMILY 15 MEMBER 1 | Authors: | Beale, J.H, Bird, L.E, Owens, R.J, Newstead, S. | Deposit date: | 2015-07-20 | Release date: | 2015-09-09 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of the Extracellular Domain from Pept1 and Pept2 Provide Novel Insights Into Mammalian Peptide Transport Structure, 23, 2015
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3VSG
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![BU of 3vsg by Molmil](/molmil-images/mine/3vsg) | Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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3VSI
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![BU of 3vsi by Molmil](/molmil-images/mine/3vsi) | Crystal structure of native 1,6-APD (2-Animophenol-1,6-dioxygenase) complex with 4-Nitrocatechol | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, 4-NITROCATECHOL, ... | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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5OR9
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![BU of 5or9 by Molmil](/molmil-images/mine/5or9) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13 | Descriptor: | (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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7BW1
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![BU of 7bw1 by Molmil](/molmil-images/mine/7bw1) | Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ... | Authors: | Xiao, Q, Zhang, C, Wei, Z. | Deposit date: | 2020-04-13 | Release date: | 2020-08-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride. Res Sq, 2020
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8BBS
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![BU of 8bbs by Molmil](/molmil-images/mine/8bbs) | Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | Descriptor: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | Deposit date: | 2022-10-14 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
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1XB0
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![BU of 1xb0 by Molmil](/molmil-images/mine/1xb0) | Structure of the BIR domain of IAP-like protein 2 | Descriptor: | Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ... | Authors: | Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S. | Deposit date: | 2004-08-27 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition Biochem.J., 385, 2005
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1XB1
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![BU of 1xb1 by Molmil](/molmil-images/mine/1xb1) | The Structure of the BIR domain of IAP-like protein 2 | Descriptor: | Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ... | Authors: | Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S. | Deposit date: | 2004-08-27 | Release date: | 2004-11-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition Biochem.J., 385, 2005
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5HVQ
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![BU of 5hvq by Molmil](/molmil-images/mine/5hvq) | Alternative model of the MAGE-G1 NSE-1 complex | Descriptor: | Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION | Authors: | Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O. | Deposit date: | 2016-01-28 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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3CMF
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![BU of 3cmf by Molmil](/molmil-images/mine/3cmf) | Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A. | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | Deposit date: | 2008-03-21 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis. J.Biol.Chem., 283, 2008
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2J8U
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![BU of 2j8u by Molmil](/molmil-images/mine/2j8u) | Large CDR3a loop alteration as a function of MHC mutation. | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, Beta-2-microglobulin, ... | Authors: | Miller, P.J, Benhar, Y.P, Biddison, W, Collins, E.J. | Deposit date: | 2006-10-27 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Single MHC mutation eliminates enthalpy associated with T cell receptor binding. J. Mol. Biol., 373, 2007
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