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5W9C
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BU of 5w9c by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S in Complex with 4-hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor
Authors:Fanning, S.W, Greene, G.W.
Deposit date:2017-06-23
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
8GN6
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BU of 8gn6 by Molmil
Crystallization of Sialidase from Porphyromonas gingivalis
Descriptor: Sialidase, UNKNOWN LIGAND
Authors:Dong, W.B.
Deposit date:2022-08-23
Release date:2023-04-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and enzymatic characterization of the sialidase SiaPG from Porphyromonas gingivalis.
Acta Crystallogr.,Sect.F, 79, 2023
3ZKI
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BU of 3zki by Molmil
BACE2 MUTANT STRUCTURE WITH LIGAND
Descriptor: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
1RX0
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BU of 1rx0 by Molmil
Crystal structure of isobutyryl-CoA dehydrogenase complexed with substrate/ligand.
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Acyl-CoA dehydrogenase family member 8, ...
Authors:Battaile, K.P, Nguyen, T.V, Vockley, J, Kim, J.J.
Deposit date:2003-12-18
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structures of Isobutyryl-CoA Dehydrogenase and Enzyme-Product Complex: COMPARISON WITH ISOVALERYL- AND SHORT-CHAIN ACYL-COA DEHYDROGENASES.
J.Biol.Chem., 279, 2004
2EAT
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BU of 2eat by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA and TG
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
1MW4
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BU of 1mw4 by Molmil
Solution structure of the human Grb7-SH2 domain in complex with a 10 amino acid peptide pY1139
Descriptor: Growth factor receptor-bound protein 7, Receptor protein-tyrosine kinase erbB-2
Authors:Ivancic, M, Lyons, B.A.
Deposit date:2002-09-27
Release date:2003-09-09
Last modified:2012-05-02
Method:SOLUTION NMR
Cite:Solution structure of the human Grb7-SH2 domain/erbB2 peptide complex and structural basis for Grb7 binding to ErbB2
J.BIOMOL.NMR, 27, 2003
1MU0
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BU of 1mu0 by Molmil
Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK
Descriptor: (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-23
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
7BII
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BU of 7bii by Molmil
Crystal structure of Nematocida HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T.
Deposit date:2021-01-12
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.037 Å)
Cite:HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
2V8E
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BU of 2v8e by Molmil
Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand.
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CHLORIDE ION, COMPLEMENT FACTOR H, ...
Authors:Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Tarelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M.
Deposit date:2007-08-07
Release date:2007-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration.
J.Exp.Med., 204, 2007
5W9D
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BU of 5w9d by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen
Descriptor: Endoxifen, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6464 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
2V45
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BU of 2v45 by Molmil
A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ...
Authors:Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J, Brondino, C.D, Romao, M.J.
Deposit date:2007-06-27
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
1ZWH
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BU of 1zwh by Molmil
Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine
Descriptor: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82
Authors:Immormino, R.M, Blagg, B.S, Gewirth, D.T.
Deposit date:2005-06-03
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
3BEB
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BU of 3beb by Molmil
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic penicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 5
Authors:Heilemann, J, Powell, A.J, Davies, C.
Deposit date:2007-11-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of complexes of bacterial DD-peptidases with peptidoglycan-mimetic ligands: the substrate specificity puzzle
J.Mol.Biol., 381, 2008
1RYW
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BU of 1ryw by Molmil
C115S MurA liganded with reaction products
Descriptor: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Eschenburg, S, Schonbrunn, E.
Deposit date:2003-12-22
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence That the Fosfomycin Target Cys115 in UDP-N-acetylglucosamine Enolpyruvyl Transferase (MurA) Is Essential for Product Release.
J.Biol.Chem., 280, 2005
1RRV
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BU of 1rrv by Molmil
X-ray crystal structure of TDP-vancosaminyltransferase GtfD as a complex with TDP and the natural substrate, desvancosaminyl vancomycin.
Descriptor: DESVANCOSAMINYL VANCOMYCIN, GLYCEROL, GLYCOSYLTRANSFERASE GTFD, ...
Authors:Mulichak, A.M, Lu, W, Losey, H.C, Walsh, C.T, Garavito, R.M.
Deposit date:2003-12-09
Release date:2004-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Vancosaminyltransferase Gtfd from the Vancomycin Biosynthetic Pathway: Interactions with Acceptor and Nucleotide Ligands
Biochemistry, 43, 2004
3R7D
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BU of 3r7d by Molmil
Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis
Descriptor: Aspartate carbamoyltransferase, PHOSPHATE ION
Authors:Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R.
Deposit date:2011-03-22
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis.
J.Mol.Biol., 411, 2011
1XCH
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BU of 1xch by Molmil
MYOGLOBIN (HORSE HEART) MUTANT WITH LEU 104 REPLACED BY ASN (L104N)
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Maurus, R, Brayer, G.D.
Deposit date:1997-06-06
Release date:1997-09-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A myoglobin variant with a polar substitution in a conserved hydrophobic cluster in the heme binding pocket.
Biochim.Biophys.Acta, 1341, 1997
3DEU
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BU of 3deu by Molmil
Crystal structure of transcription regulatory protein slyA from Salmonella typhimurium in complex with salicylate ligands
Descriptor: 2-HYDROXYBENZOIC ACID, Transcriptional regulator slyA
Authors:Le Trong, I, Brzovic, P.S, Fang, F.C, Libby, S.J, Stenkamp, R.E.
Deposit date:2008-06-10
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Evolution of SlyA/RovA Transcription Factors from Repressors to Countersilencers in Enterobacteriaceae .
Mbio, 10, 2019
2EH5
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BU of 2eh5 by Molmil
Mutant L184M structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase
Authors:Shimizu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-04
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutant L184M structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
1T68
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BU of 1t68 by Molmil
Crystal structure of nitrophorin 2 complex with NO
Descriptor: NITRIC OXIDE, Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weichsel, A, Montfort, W.R.
Deposit date:2004-05-05
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational change and heme ruffling in nitrophorin 2, a nitric oxide carrier from kissing bug
To be Published
8KCP
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BU of 8kcp by Molmil
Cryo-EM structure of human gamma-secretase in complex with Crenigacestat
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y.
Deposit date:2023-08-08
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Basis of gamma-secretase inhibition by anti-cancer clinical drugs
To Be Published
6GLC
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BU of 6glc by Molmil
Structure of phospho-Parkin bound to phospho-ubiquitin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D.
Deposit date:2018-05-23
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of parkin activation by PINK1.
Nature, 559, 2018
2AO6
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BU of 2ao6 by Molmil
Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, 14-mer fragment of Nuclear receptor coactivator 2, androgen receptor
Authors:He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M.
Deposit date:2005-08-12
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance
Mol.Cell, 16, 2004
3BUM
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BU of 3bum by Molmil
Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty2
Descriptor: E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2
Authors:Ng, C, Jackson, A.R, Buschdorf, P.J, Sun, Q, Guy, R.G, Sivaraman, J.
Deposit date:2008-01-03
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
4NCX
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BU of 4ncx by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum 3D7
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Proline--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 3, 2017

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數據於2024-09-04公開中

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