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3NM2
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BU of 3nm2 by Molmil
Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI)
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-06-21
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI)
To be Published
1REP
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BU of 1rep by Molmil
CRYSTAL STRUCTURE OF REPLICATION INITIATOR PROTEIN REPE54 OF MINI-F PLASMID COMPLEXED WITH AN ITERON DNA
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Komori, H, Matsunaga, F, Higuchi, Y, Ishiai, M, Wada, C, Miki, K.
Deposit date:1999-04-29
Release date:2000-02-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a prokaryotic replication initiator protein bound to DNA at 2.6 A resolution.
EMBO J., 18, 1999
3NXJ
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BU of 3nxj by Molmil
Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI)
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-07-13
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI)
To be Published
3NUV
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BU of 3nuv by Molmil
Crystal structure of ketosteroid isomerase D38ND99N from Pseudomonas testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
Descriptor: 4-ANDROSTENE-3-17-DIONE, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-07-07
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38ND99N from Pseudomonas testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
TO BE PUBLISHED
3OV4
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BU of 3ov4 by Molmil
Crystal Structure of Ketosteroid Isomerase P39GV40GS42G from Pseudomonas Testosteroni (tKSI) bound to Equilenin
Descriptor: EQUILENIN, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-09-15
Release date:2011-10-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Ketosteroid Isomerase P39GV40GS42G from Pseudomonas Testosteroni (tKSI)
To be Published
3NHX
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BU of 3nhx by Molmil
Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
Descriptor: 4-ANDROSTENE-3-17-DIONE, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Ruben, E, Sunden, F, Herschlag, D.
Deposit date:2010-06-14
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
To be Published
3RGR
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BU of 3rgr by Molmil
Crystal structure of ketosteroid isomerase M116A from Pseudomonas putida
Descriptor: Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2011-04-08
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Crystal structure of ketosteroid isomerase M116A from Pseudomonas putida
To be Published
3MHE
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BU of 3mhe by Molmil
Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI)
Descriptor: N-PROPANOL, SULFATE ION, Steroid Delta-Isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-04-07
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI)
To be Published
3MKI
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BU of 3mki by Molmil
Crystal Structure of Ketosteroid Isomerase D38ED99N from Pseudomonas Testosteroni (tKSI)
Descriptor: GLYCEROL, SULFATE ION, Steroid Delta-Isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-04-14
Release date:2011-11-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D38E,D99N from Pseudomonas Testosteroni (tKSI)
To be Published
3M8C
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BU of 3m8c by Molmil
Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound
Descriptor: EQUILENIN, GLYCEROL, SULFATE ION, ...
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-03-17
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound
TO BE PUBLISHED
4L7K
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BU of 4l7k by Molmil
Crystal Structure of Ketosteroid Isomerase D38E from Pseudomonas Testosteroni (tKSI)
Descriptor: GLYCEROL, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2013-06-14
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Use of anion-aromatic interactions to position the general base in the ketosteroid isomerase active site.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UNL
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BU of 3unl by Molmil
Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2011-11-15
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
To be Published
3T8N
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BU of 3t8n by Molmil
Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida
Descriptor: SULFATE ION, Steroid Delta-isomerase, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2011-08-01
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase.
J.Am.Chem.Soc., 133, 2011
3T8U
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BU of 3t8u by Molmil
Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2011-08-01
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase.
J.Am.Chem.Soc., 133, 2011
1J4I
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BU of 1j4i by Molmil
crystal structure analysis of the FKBP12 complexed with 000308 small molecule
Descriptor: 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
1J4H
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BU of 1j4h by Molmil
crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Descriptor: 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
4YR1
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BU of 4yr1 by Molmil
Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate
Descriptor: Alkaline phosphatase, GLYCEROL, PHOSPHATE ION, ...
Authors:Peck, A, Herschlag, D.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Extensive site-directed mutagenesis reveals interconnected functional units in the Alkaline Phosphatase active site.
Elife, 4, 2015
4HQE
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BU of 4hqe by Molmil
The crystal structure of QsrR-DNA complex
Descriptor: DNA (5'-D(*AP*GP*TP*AP*TP*AP*AP*TP*TP*AP*TP*TP*AP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*AP*TP*AP*AP*TP*TP*AP*TP*AP*CP*T)-3'), Transcriptional regulator QsrR
Authors:He, C, Ji, Q, Zhang, L.
Deposit date:2012-10-25
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
Descriptor: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor
Authors:Vallee, F, Steier, V, Rak, A.
Deposit date:2019-07-22
Release date:2019-11-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer.
J.Med.Chem., 63, 2020
8WPZ
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BU of 8wpz by Molmil
Cryo-ET structure of RuBisCO at 3.9 angstroms from Synechococcus elongatus PCC 7942
Descriptor: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small subunit
Authors:Kong, W.W, Jiang, Y.L, Zhou, C.Z.
Deposit date:2023-10-10
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-electron tomography reveals the packaging pattern of RuBisCOs in Synechococcus beta-carboxysome.
Structure, 2024
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
3QUP
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BU of 3qup by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
Descriptor: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
Authors:Ohren, J.F.
Deposit date:2011-02-24
Release date:2011-12-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
1J4J
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BU of 1j4j by Molmil
Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A
Descriptor: ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN
Authors:He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z.
Deposit date:2001-10-02
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.
J.Mol.Biol., 325, 2003

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