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7XWY
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BU of 7xwy by Molmil
Crystal structure of spFft3 N-terminal truncation
Descriptor: ATP-dependent helicase fft3, SULFATE ION
Authors:Zhang, N, Jiang, T, Huo, Y.
Deposit date:2022-05-27
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of spFft3 N-terminal truncation
To Be Published
7XXE
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BU of 7xxe by Molmil
Crystal structure of spFft3 C-terminal truncation
Descriptor: ATP-dependent helicase fft3
Authors:Nan, Z, Tao, J, Yangao, H.
Deposit date:2022-05-30
Release date:2023-12-06
Method:X-RAY DIFFRACTION (4.202 Å)
Cite:Crystal structure of spFft3 C-terminal truncation
To Be Published
3FDT
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BU of 3fdt by Molmil
Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide
Descriptor: Chromobox protein homolog 5, H3K9(me)3 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-26
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
2Y7P
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BU of 2y7p by Molmil
DntR Inducer Binding Domain in Complex with Salicylate. Trigonal crystal form
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN
Authors:Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C.
Deposit date:2011-02-01
Release date:2011-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
4N7N
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BU of 4n7n by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
2JF9
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BU of 2jf9 by Molmil
ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST
Descriptor: 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ...
Authors:Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
Deposit date:2007-01-29
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
5YTP
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BU of 5ytp by Molmil
Crystal Structure of TTHA0139 L34A from Thermus thermophilus HB8
Descriptor: TTHA0139
Authors:Takao, K, Inoue, M, Fukui, K, Yano, T, Masui, R.
Deposit date:2017-11-19
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.457 Å)
Cite:Crystal Structure of TTHA0139 L34A from Thermus thermophilus HB8
To Be Published
2JLD
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BU of 2jld by Molmil
Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3
Descriptor: GLYCOGEN SYNTHASE KINASE-3 BETA, PEPTIDE (ALA-GLY-GLY-ALA-ALA-ALA-ALA-ALA), RUTHENIUM PYRIDOCARBAZOLE
Authors:Atilla-Gokcumen, G.E, Pagano, N, Streu, C, Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E.
Deposit date:2008-09-08
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3.
Chembiochem, 9, 2008
2K0C
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BU of 2k0c by Molmil
Zinc-finger 2 of Nup153
Descriptor: Nuclear pore complex protein Nup153, ZINC ION
Authors:Bangert, J.A, Schrader, N, Vetter, I.R, Stoll, R.
Deposit date:2008-01-31
Release date:2008-07-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex.
Structure, 16, 2008
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3FOL
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BU of 3fol by Molmil
Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFERI
Descriptor: 8 residue synthetic peptide, Beta-2-microglobulin, MHC
Authors:Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P.
Deposit date:2008-12-30
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect
Int.Immunol., 22, 2010
4PML
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BU of 4pml by Molmil
Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide.
Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-22
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PNL
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BU of 4pnl by Molmil
Crystal structure of TNKS-2 in complex with DR2313.
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-23
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
3FKC
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BU of 3fkc by Molmil
Crystal Structure of Human Zinc finger and BTB domain containing 33
Descriptor: Transcriptional regulator Kaiso
Authors:Filippakopoulos, P, Bullock, A, Keates, T, Burgess-Brown, N, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-16
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Zinc finger and BTB domain containing 33
To be Published
4EQE
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BU of 4eqe by Molmil
Crystal structure of histidine triad nucleotide-binding protein 1 (HINT1) from human complexed with Lys-AMS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Side chain independent recognition of aminoacyl adenylates by the hint1 transcription suppressor.
J.Phys.Chem.B, 116, 2012
2Z8H
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BU of 2z8h by Molmil
Structure of mouse Bach1 BTB domain
Descriptor: Transcription regulator protein BACH1
Authors:Ito, N, Murayama, K.
Deposit date:2007-09-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of mouse Bach1 BTB domain
To be Published
6BG6
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BU of 6bg6 by Molmil
Crystal structure of S111A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-10-27
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
3FLI
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BU of 3fli by Molmil
Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)
Descriptor: 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor
Authors:Foster, P.G, Stout, T.J.
Deposit date:2008-12-18
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).
J.Med.Chem., 52, 2009
4L4Z
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BU of 4l4z by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4PCQ
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BU of 4pcq by Molmil
Crystal Structure of MtbAldR (Rv2779c)
Descriptor: Possible transcriptional regulatory protein (Probably Lrp/AsnC-family)
Authors:Dey, A, Ramachandran, R.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of MtbAldR
To be published
4PNQ
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BU of 4pnq by Molmil
Crystal Structure of human Tankyrase 2 in complex with 5AIQ.
Descriptor: 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
2QQ0
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BU of 2qq0 by Molmil
Thymidine Kinase from Thermotoga Maritima in complex with thymidine + AppNHp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S.
Deposit date:2007-07-25
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
Structure, 15, 2007
4L50
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BU of 4l50 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4L87
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BU of 4l87 by Molmil
Crystal structure of the human seryl-tRNA synthetase in complex with Ser-SA at 2.9 Angstrom resolution
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Xu, X, Yang, X.-L.
Deposit date:2013-06-16
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Crystal Structure of Human Seryl-tRNA Synthetase and Ser-SA Complex Reveals a Molecular Lever Specific to Higher Eukaryotes.
Structure, 21, 2013
4LE1
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BU of 4le1 by Molmil
Crystal structure of the receiver domain of DesR in the inactive state
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2013-06-25
Release date:2014-07-16
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014

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數據於2024-09-18公開中

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