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1V6B
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BU of 1v6b by Molmil
Solution structure of the third PDZ domain of mouse harmonin
Descriptor: harmonin isoform a1
Authors:Yamada, K, Nameki, N, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-28
Release date:2004-05-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the third PDZ domain of mouse harmonin
To be Published
4ZO1
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BU of 4zo1 by Molmil
Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha
Descriptor: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
Authors:Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W.
Deposit date:2015-05-05
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
4ZP3
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BU of 4zp3 by Molmil
AKAP18:PKA-RIIalpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA
Descriptor: A-kinase anchor protein 7 isoforms alpha and beta, CADMIUM ION, cAMP-dependent protein kinase type II-alpha regulatory subunit
Authors:Goetz, F, Roske, Y, Faelber, K, Zuehlke, K, Autenrieth, K, Kreuchwig, A, Krause, G, Herberg, F.W, Daumke, O, Heinemann, U, Klussmann, E.
Deposit date:2015-05-07
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:AKAP18:PKA-RII alpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA.
Biochem.J., 473, 2016
5VRX
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BU of 5vrx by Molmil
Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in Watson-Crick conformation
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Reed, A.J, Suo, Z.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
3LNH
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BU of 3lnh by Molmil
Crystal structure of E-cadherin EC12 W2A
Descriptor: CALCIUM ION, Cadherin-1
Authors:Harrison, O, Jin, X, Shapiro, L.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two-step adhesive binding by classical cadherins.
Nat.Struct.Mol.Biol., 17, 2010
1V9J
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BU of 1v9j by Molmil
Solution structure of a BolA-like protein from Mus musculus
Descriptor: BolA-like protein RIKEN cDNA 1110025L05
Authors:Kasai, T, Inoue, M, Koshiba, S, Yabuki, T, Aoki, M, Nunokawa, E, Seki, E, Matsuda, T, Matsuda, N, Tomo, Y, Shirouzu, M, Terada, T, Obayashi, N, Hamana, H, Shinya, N, Tatsuguchi, A, Yasuda, S, Yoshida, M, Hirota, H, Matsuo, Y, Tani, K, Suzuki, H, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-26
Release date:2004-02-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a BolA-like protein from Mus musculus
Protein Sci., 13, 2004
5VS0
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BU of 5vs0 by Molmil
Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 80 s
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*CP*T)-3'), ...
Authors:Reed, A.J, Suo, Z.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
5VMY
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BU of 5vmy by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
1VA3
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BU of 1va3 by Molmil
Solution Structure of Transcription Factor Sp1 DNA Binding Domain (Zinc Finger 3)
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Oka, S, Shiraishi, Y, Yoshida, T, Ohkubo, T, Sugiura, Y, Kobayashi, Y.
Deposit date:2004-02-07
Release date:2005-02-08
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of transcription factor Sp1 DNA binding domain
Biochemistry, 43, 2004
1TV9
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BU of 1tv9 by Molmil
HUMAN DNA POLYMERASE BETA COMPLEXED WITH NICKED DNA CONTAINING A MISMATCHED TEMPLATE ADENINE AND INCOMING CYTIDINE
Descriptor: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Krahn, J.M, Beard, W.M, Wilson, S.H.
Deposit date:2004-06-29
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:STRUCTURAL INSIGHTS INTO DNA POLYMERASE BETA DETERRENTS FOR MISINCORPORATION SUPPORT OF AN INDUCED-FIT MECHANISM FOR FIDELITY
Structure, 12, 2004
5VS5
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BU of 5vs5 by Molmil
ABA-mimicking ligand AMF2alpha in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-W, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K.
Deposit date:2017-05-11
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
5VRZ
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BU of 5vrz by Molmil
Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 60 s
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*TP*GP*CP*GP*CP*CP*T)-3'), ...
Authors:Reed, A.J, Suo, Z.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta.
J. Am. Chem. Soc., 139, 2017
1BH9
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BU of 1bh9 by Molmil
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS
Descriptor: PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28
Authors:Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D.
Deposit date:1998-06-16
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
5VSQ
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BU of 5vsq by Molmil
ABA-mimicking ligand AMF2beta in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
Deposit date:2017-05-12
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
5TM6
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BU of 5tm6 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid
Descriptor: 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.542 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
1DB4
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BU of 1db4 by Molmil
HUMAN S-PLA2 IN COMPLEX WITH INDOLE 8
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2, [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID
Authors:Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P.
Deposit date:1999-11-02
Release date:1999-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
5TMT
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BU of 5tmt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol
Descriptor: 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.051 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
3LLP
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BU of 3llp by Molmil
1.8 Angstrom human fascin 1 crystal structure
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, Fascin, ...
Authors:Chen, L, Yang, S, Jakoncic, J, Zhang, J.J, Huang, X.-Y.
Deposit date:2010-01-29
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Migrastatin analogues target fascin to block tumour metastasis.
Nature, 464, 2010
5TN6
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BU of 5tn6 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
Descriptor: (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.091 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
3KPY
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BU of 3kpy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole
Descriptor: 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
5THV
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BU of 5thv by Molmil
Crystal Structure of G305A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
1UF1
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BU of 1uf1 by Molmil
Solution structure of the second PDZ domain of human KIAA1526 protein
Descriptor: KIAA1526 protein
Authors:Saito, K, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-22
Release date:2003-11-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the second PDZ domain of human KIAA1526 protein
To be Published
1U3T
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BU of 1u3t by Molmil
Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution
Descriptor: Alcohol dehydrogenase alpha chain, CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gibbons, B.J, Hurley, T.D.
Deposit date:2004-07-23
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors
Biochemistry, 43, 2004
1DLK
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BU of 1dlk by Molmil
CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR
Descriptor: CHLORIDE ION, Thrombin heavy chain, Thrombin light chain, ...
Authors:Mac Sweeney, A, Birrane, G, Walsh, M.A, O'Connell, T, Malthouse, J.P.G.
Deposit date:1999-12-10
Release date:2000-05-03
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of delta-chymotrypsin bound to a peptidyl chloromethyl ketone inhibitor.
Acta Crystallogr.,Sect.D, 56, 2000
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
Descriptor: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017

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