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3N8E
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BU of 3n8e by Molmil
Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin)
Descriptor: Stress-70 protein, mitochondrial
Authors:Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-05-28
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin)
To be published
8ERM
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BU of 8erm by Molmil
Crystal structure of FliC D2/D3 domains from Pseudomonas aeruginosa PAO1
Descriptor: B-type flagellin, GLYCEROL, SULFATE ION
Authors:Nedeljkovic, M, Bonsor, D.A, Postel, S, Sundberg, E.J.
Deposit date:2022-10-12
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments.
Plos Pathog., 19, 2023
2O2N
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BU of 2o2n by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
Descriptor: 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X
Authors:Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
1H8C
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BU of 1h8c by Molmil
UBX domain from human faf1
Descriptor: FAS-ASSOCIATED FACTOR 1
Authors:Bycroft, M.M.
Deposit date:2001-02-01
Release date:2001-02-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Ubx Domain: A Widespread Ubiquitin-Like Module
J.Mol.Biol., 307, 2001
5EQU
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BU of 5equ by Molmil
Crystal structure of the epimerase SnoN in complex with Fe3+, alpha ketoglutarate and nogalamycin RO
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Nogalamycin RO, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-13
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
2NUT
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BU of 2nut by Molmil
Crystal Structure of the human Sec23a/24a heterodimer, complexed with the SNARE protein Sec22b
Descriptor: Protein transport protein Sec23A, Protein transport protein Sec24A, Vesicle-trafficking protein SEC22b, ...
Authors:Mancias, J.D, Goldberg, J.
Deposit date:2006-11-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Transport Signal on Sec22 for Packaging into COPII-Coated Vesicles is a Conformational Epitope
Mol.Cell, 26, 2007
8DDG
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BU of 8ddg by Molmil
FYF peptide forms a standard beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E, Vlahakis, N.W.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
2PQ9
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BU of 2pq9 by Molmil
E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
Descriptor: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
Authors:Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
5EPA
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BU of 5epa by Molmil
Crystal structure of non-heme alpha ketoglutarate dependent carbocyclase SnoK from nogalamycin biosynthesis
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, MAGNESIUM ION, ...
Authors:Selvaraj, B, Lindqvist, Y, Siitonen, V, Niiranen, L, Metsa-Ketela, M, Schneider, G.
Deposit date:2015-11-11
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
2OMQ
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BU of 2omq by Molmil
VEALYL peptide derived from human insulin chain B, residues 12-17
Descriptor: VEALYL peptide derived from human insulin chain B, residues 12-17
Authors:Ivanova, M, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-22
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
2OL3
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BU of 2ol3 by Molmil
crystal structure of BM3.3 ScFV TCR in complex with PBM8-H-2KBM8 MHC class I molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALLOGENEIC H-2KBM8 MHC CLASS I MOLECULE, BM3.3 T-CELL RECEPTOR ALPHA-CHAIN, ...
Authors:Mazza, C, Auphan-Anezin, N, Gregoire, C, Guimezanes, A, Kellenberger, C, Roussel, A, Kearney, A, Van der Merwe, P.A, Schmitt-Verhulst, A.M, Malissen, B.
Deposit date:2007-01-18
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:How much can a T-cell antigen receptor adapt to structurally distinct antigenic peptides?
Embo J., 26, 2007
7B34
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BU of 7b34 by Molmil
MST3 in complex with compound MRIA12
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
2NVQ
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BU of 2nvq by Molmil
RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP
Descriptor: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
Authors:Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
Deposit date:2006-11-13
Release date:2006-12-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
2NXE
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BU of 2nxe by Molmil
T. thermophilus ribosomal protein L11 methyltransferase (PrmA) in complex with S-Adenosyl-L-Methionine
Descriptor: Ribosomal protein L11 methyltransferase, S-ADENOSYLMETHIONINE
Authors:Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2006-11-17
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Recognition of ribosomal protein L11 by the protein trimethyltransferase PrmA.
Embo J., 26, 2007
2O39
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BU of 2o39 by Molmil
Human Adenovirus type 11 knob in complex with domains SCR1 and SCR2 of CD46 (membrane cofactor protein, MCP)
Descriptor: CALCIUM ION, Fiber protein, Membrane cofactor protein, ...
Authors:Persson, D.B, Reiter, D.M, Arnberg, N, Stehle, T.
Deposit date:2006-12-01
Release date:2007-01-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Adenovirus type 11 binding alters the conformation of its receptor CD46.
Nat.Struct.Mol.Biol., 14, 2007
2NVX
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BU of 2nvx by Molmil
RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dUTP
Descriptor: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
Authors:Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
Deposit date:2006-11-13
Release date:2006-12-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
6ANY
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BU of 6any by Molmil
Structure of BmVAL-1
Descriptor: Bm4233, isoform b, SULFATE ION, ...
Authors:Asojo, O.A.
Deposit date:2017-08-14
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Brugia malayi venom allergen-like protein-1 (BmVAL-1), a vaccine candidate for lymphatic filariasis.
Int. J. Parasitol., 48, 2018
2PQ5
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BU of 2pq5 by Molmil
Crystal structure of Dual specificity protein phosphatase 13 (DUSP13)
Descriptor: Dual specificity protein phosphatase 13
Authors:Ugochukwu, E, Salah, E, Savitsky, P, Barr, A, Pantic, N, Niesen, F, Burgess-Brown, N, Berridge, G, Bunkoczi, G, Uppenberg, J, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-01
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Dual specificity protein phosphatase 13 (DUSP13).
To be Published
6GGG
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BU of 6ggg by Molmil
Mineralocorticoid receptor in complex with (s)-13
Descriptor: 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ...
Authors:Edman, K, Aagaard, A, Tangefjord, S.
Deposit date:2018-05-03
Release date:2019-01-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
2PIS
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BU of 2pis by Molmil
Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs
Descriptor: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E.
Deposit date:2007-04-13
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs.
J.Am.Chem.Soc., 129, 2007
5JSB
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BU of 5jsb by Molmil
Crystal structure of Mcl1-inhibitor complex
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2016-05-07
Release date:2016-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
2B8F
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BU of 2b8f by Molmil
solution structure of Bacillus subtilis BLAP Apo form (energy minimized mean structure)
Descriptor: Biotin/Lipoyl Attachment Protein
Authors:Cui, G, Xia, B, Jin, C.
Deposit date:2005-10-06
Release date:2006-06-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:solution structure of Bacillus subtilis BLAP Apo form (energy minimized mean structure)
To be published
7B33
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BU of 7b33 by Molmil
MST3 in complex with MRIA11
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
2Q3H
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BU of 2q3h by Molmil
The crystal structure of RhouA in the GDP-bound state.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ...
Authors:Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of RhouA in the GDP-bound state.
To be Published
7B30
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BU of 7b30 by Molmil
MST3 in complex with compound G-5555
Descriptor: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021

222624

數據於2024-07-17公開中

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