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7RS3
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BU of 7rs3 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29
Descriptor: (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CYSTEINE, Estrogen receptor, ...
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS1
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BU of 7rs1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21
Descriptor: Estrogen receptor, methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS0
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BU of 7rs0 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18
Descriptor: (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RRZ
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BU of 7rrz by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30
Descriptor: (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS4
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BU of 7rs4 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8
Descriptor: (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid, CHLORIDE ION, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS2
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BU of 7rs2 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23
Descriptor: (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RRY
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BU of 7rry by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20
Descriptor: (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, CHLORIDE ION, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS9
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BU of 7rs9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25
Descriptor: (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-11
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS8
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BU of 7rs8 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16
Descriptor: (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-11
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RRX
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BU of 7rrx by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS7
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BU of 7rs7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30
Descriptor: (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-11
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
1ICI
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BU of 1ici by Molmil
CRYSTAL STRUCTURE OF A SIR2 HOMOLOG-NAD COMPLEX
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRANSCRIPTIONAL REGULATORY PROTEIN, SIR2 FAMILY, ...
Authors:Min, J, Landry, J, Sternglanz, R, Xu, R.-M.
Deposit date:2001-04-01
Release date:2001-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a SIR2 homolog-NAD complex.
Cell(Cambridge,Mass.), 105, 2001
8EPU
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BU of 8epu by Molmil
1.6 A crystal structure of the lipocalin dog allergen Can f 1 with the C118S mutation
Descriptor: Major allergen Can f 1
Authors:Min, J, Pedersen, L.C, Geoffrey, M.A.
Deposit date:2022-10-06
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023
8EPV
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BU of 8epv by Molmil
2.2 A crystal structure of the lipocalin cat allergen Fel d 7
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ...
Authors:Min, J, Pedersen, L.C, Geoffrey, M.A.
Deposit date:2022-10-06
Release date:2023-04-05
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023
4Z5H
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BU of 4z5h by Molmil
HipB(S29A)-O2 20mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*TP*CP*AP*CP*TP*AP*AP*AP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
4Z5C
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BU of 4z5c by Molmil
HipB-O3 21mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*CP*GP*TP*AP*GP*AP*GP*CP*GP*GP*AP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
4Z59
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BU of 4z59 by Molmil
HipB-O4 20mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
4Z5D
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BU of 4z5d by Molmil
HipB-O4 21mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
4Z58
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BU of 4z58 by Molmil
HipB-O3 20mer complex
Descriptor: Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*AP*A)-3')
Authors:Min, J, Brennan, R.G, Schumacher, M.A.
Deposit date:2015-04-02
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism on hipBA gene regulation.
To be published
5UC3
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BU of 5uc3 by Molmil
Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ...
Authors:Min, J, Cidlowski, J.A, Pedersen, L.C.
Deposit date:2016-12-21
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Nuclear receptor
To Be Published
8G4P
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BU of 8g4p by Molmil
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 13T1 and 13T5
Descriptor: 1,2-ETHANEDIOL, 13T1 Fab light chain, 13T5 Fab heavy chain, ...
Authors:Pedersen, L.C, Mueller, G.A, Min, J.
Deposit date:2023-02-10
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design of an Ara h 2 hypoallergen from conformational epitopes.
Clin Exp Allergy, 54, 2024
8DB4
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BU of 8db4 by Molmil
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 22S1 and 13T1
Descriptor: 1,2-ETHANEDIOL, 13T1 Heavy chain, 13T1 Light chain, ...
Authors:Min, J, Pedersen, L.C.
Deposit date:2022-06-14
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immunotherapy-induced neutralizing antibodies disrupt allergen binding and sustain allergen tolerance in peanut allergy.
J.Clin.Invest., 133, 2023
2O28
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BU of 2o28 by Molmil
Crystal Structure of GNPNAT1
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, Glucosamine 6-phosphate N-acetyltransferase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Glucosamine-Phosphate N-Acetyltransferase 1
To be Published
2OU2
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BU of 2ou2 by Molmil
Acetyltransferase domain of Human HIV-1 Tat interacting protein, 60kDa, isoform 3
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase HTATIP, ZINC ION
Authors:Min, J, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-02-09
Release date:2007-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of acetyltransferase domain of Human HIV-1 Tat interacting protein in complex with acetylcoenzyme A.
To be Published
2OZU
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BU of 2ozu by Molmil
Crystal structure of human MYST histone acetyltransferase 3 in complex with acetylcoenzyme A
Descriptor: ACETAMIDE, ACETYL COENZYME *A, Histone acetyltransferase MYST3, ...
Authors:Min, J, Wu, H, Dombrovski, L, Bernstein, G, Dong, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human MYST histone acetyltransferase 3 in complex with acetylcoenzyme A
To be Published

217705

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