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4Q13
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BU of 4q13 by Molmil
Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
Authors:Fanning, S.W, Panchamukhi, S, Greene, G.L.
Deposit date:2014-04-02
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
5L19
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BU of 5l19 by Molmil
Crystal Structure of a human FasL mutant
Descriptor: SULFATE ION, Tumor necrosis factor ligand superfamily member 6, ZINC ION
Authors:Liu, W, Bonanno, J.B, Almo, S.C.
Deposit date:2016-07-28
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
1S9P
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BU of 1s9p by Molmil
crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol
Descriptor: DIETHYLSTILBESTROL, Estrogen-related receptor gamma
Authors:Greschik, H, Flaig, R, Renaud, J.P, Moras, D.
Deposit date:2004-02-05
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.13 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
4B4W
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BU of 4b4w by Molmil
Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor
Descriptor: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ...
Authors:Eadsforth, T.C, Maluf, F.V, Hunter, W.N.
Deposit date:2012-08-01
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
4OCE
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BU of 4oce by Molmil
Crystal structure of the disulfide oxidoreductase DsbA from Proteus mirabilis
Descriptor: MALONATE ION, Thiol:disulfide interchange protein
Authors:Kurth, F, Martin, J.L.
Deposit date:2014-01-09
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Crystal Structure of the Dithiol Oxidase DsbA Enzyme from Proteus Mirabilis Bound Non-covalently to an Active Site Peptide Ligand.
J.Biol.Chem., 289, 2014
3BKI
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BU of 3bki by Molmil
Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms
Descriptor: Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
Authors:Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P.
Deposit date:2007-12-06
Release date:2008-09-16
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
2LAZ
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BU of 2laz by Molmil
Structure of the first WW domain of human Smurf1 in complex with a mono-phosphorylated human Smad1 derived peptide
Descriptor: E3 ubiquitin-protein ligase SMURF1, Mothers against decapentaplegic homolog 1
Authors:Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J.
Deposit date:2011-03-22
Release date:2011-07-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Smad action turnover switch operated by WW domain readers of a phosphoserine code.
Genes Dev., 25, 2011
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
Descriptor: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
1R5D
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BU of 1r5d by Molmil
X-ray structure of bovine seminal ribonuclease swapping dimer from a new crystal form
Descriptor: Ribonuclease, seminal
Authors:Merlino, A, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L.
Deposit date:2003-10-10
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Population shift vs induced fit: The case of bovine seminal ribonuclease swapping dimer
Biopolymers, 73, 2004
2LB0
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BU of 2lb0 by Molmil
Structure of the first WW domain of human Smurf1 in complex with a di-phosphorylated human Smad1 derived peptide
Descriptor: E3 ubiquitin-protein ligase SMURF1, Mothers against decapentaplegic homolog 1
Authors:Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J.
Deposit date:2011-03-22
Release date:2011-07-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Smad action turnover switch operated by WW domain readers of a phosphoserine code.
Genes Dev., 25, 2011
1VJB
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BU of 1vjb by Molmil
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
2LB1
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BU of 2lb1 by Molmil
Structure of the second domain of human Smurf1 in complex with a human Smad1 derived peptide
Descriptor: E3 ubiquitin-protein ligase SMURF1, Mothers against decapentaplegic homolog 1
Authors:Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J.
Deposit date:2011-03-22
Release date:2011-07-06
Last modified:2016-04-27
Method:SOLUTION NMR
Cite:A Smad action turnover switch operated by WW domain readers of a phosphoserine code.
Genes Dev., 25, 2011
1ILH
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BU of 1ilh by Molmil
Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
Descriptor: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
Authors:Watkins, R.E, Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
6AB1
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BU of 6ab1 by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oAzZLys
Descriptor: (2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-19
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
3LD4
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BU of 3ld4 by Molmil
Urate oxidase complexed with 8-nitro xanthine
Descriptor: 1,2-ETHANEDIOL, 8-nitro-3,7-dihydro-1H-purine-2,6-dione, SODIUM ION, ...
Authors:Prange, T, Colloc'h, N, Gabison, L.
Deposit date:2010-01-12
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
4C3F
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BU of 4c3f by Molmil
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Descriptor: N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine, TYROSINE-PROTEIN KINASE LCK
Authors:Cowan-Jacob, S.W, Rummel, G, Stark, W.
Deposit date:2013-08-23
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
Descriptor: ORPHAN NUCLEAR RECEPTOR PXR
Authors:Watkins, R.E, Redinbo, M.R.
Deposit date:2001-05-08
Release date:2001-06-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
6AAZ
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BU of 6aaz by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pNO2ZLys
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-19
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
2YHN
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BU of 2yhn by Molmil
The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE MYLIP, ZINC ION
Authors:Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2011-05-04
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
6AB8
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BU of 6ab8 by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with ZLys
Descriptor: (2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-20
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
Descriptor: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-08-02
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
3VXC
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BU of 3vxc by Molmil
Crystal Structure of Xylobiose-BxlE complex from Streptomyces thermoviolaceus OPC-520
Descriptor: Putative sugar-binding lipoprotein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Tomoo, K, Ishida, T, Miyamoto, K, Tsujibo, H.
Deposit date:2012-09-11
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Xylooligosaccharide-Binding Protein from Streptomyces thermoviolaceus OPC-520: Dramatic Conformational Change with Ligand binding
To be published
3LR9
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BU of 3lr9 by Molmil
X-ray photogenerated ferrous horse heart myoglobin, nitrite adduct
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yi, J, Orville, A.M, Richter-Addo, G.B.
Deposit date:2010-02-10
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Synchrotron X-ray-Induced Photoreduction of Ferric Myoglobin Nitrite Crystals Gives the Ferrous Derivative with Retention of the O-Bonded Nitrite Ligand.
Biochemistry, 49, 2010
5F3I
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BU of 5f3i by Molmil
Crystal structure of human KDM4A in complex with compound 54j
Descriptor: 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
3HFF
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BU of 3hff by Molmil
Monomeric human Cu,Zn Superoxide dismutase without Zn ligands
Descriptor: Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Saraboji, K, Nordlund, A, Leinartait, L, Oliveberg, M, Logan, D.T.
Deposit date:2009-05-11
Release date:2009-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional features cause misfolding of the ALS-provoking enzyme SOD1.
Proc.Natl.Acad.Sci.USA, 106, 2009

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数据于2024-09-04公开中

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