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4ZBI
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BU of 4zbi by Molmil
Mcl-1 complexed with small molecules
Descriptor: 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
3EAZ
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BU of 3eaz by Molmil
Crystal structure of SH2 domain of Human Csk (carboxyl-terminal src kinase), C122S mutant.
Descriptor: Tyrosine-protein kinase CSK
Authors:Liu, D, Seidel, R.D, Cowburn, D.
Deposit date:2008-08-26
Release date:2009-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Combining biophysical methods to analyze the disulfide bond in SH2 domain of C-terminal Src kinase.
Biophys Rep, 2, 2016
3GIN
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BU of 3gin by Molmil
Crystal structure of E454K-CBD1
Descriptor: CALCIUM ION, Sodium/calcium exchanger 1
Authors:Chaptal, V, Mercado-Besserer, G, Abramson, J.
Deposit date:2009-03-05
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and functional analysis of a Ca2+ sensor mutant of the na+/ca2+ exchanger
J.Biol.Chem., 284, 2009
3FHO
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BU of 3fho by Molmil
Structure of S. pombe Dbp5
Descriptor: ATP-dependent RNA helicase dbp5
Authors:Cheng, Z, Song, H.
Deposit date:2008-12-09
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Solution and crystal structures of mRNA exporter Dbp5p and its interaction with nucleotides
J.Mol.Biol., 388, 2009
4A55
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BU of 4a55 by Molmil
Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108
Authors:Hon, W.-C, Berndt, A, Williams, R.L.
Deposit date:2011-10-24
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases.
Oncogene, 31, 2012
3GAU
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BU of 3gau by Molmil
Solution structure of Human Complement Factor H in 50 mM NaCl buffer
Descriptor: Complement factor H
Authors:Okemefuna, A.I, Nan, R, Gor, J, Perkins, S.J.
Deposit date:2009-02-18
Release date:2009-06-09
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Electrostatic interactions contribute to the folded-back conformation of wild type human factor H.
J.Mol.Biol., 391, 2009
8EZD
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BU of 8ezd by Molmil
Brain-derived 42-residue amyloid-beta fibril type A
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EZE
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BU of 8eze by Molmil
Brain-derived 42-residue amyloid-beta fibril type B
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
3GGW
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BU of 3ggw by Molmil
Crystal Structure of FAB F22-4 in complex with a Carbohydrate-mimetic peptide
Descriptor: FAB F22-4 HEAVY CHAIN, FAB F22-4 LIGHT CHAIN, PEPTIDE B1
Authors:Saul, F.A, Vulliez-Le Normand, B, Bentley, G.A.
Deposit date:2009-03-02
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mimicry of O-Antigen by a Peptide Revealed in a Complex with an Antibody Raised against Shigella flexneri Serotype 2a
J.Mol.Biol., 388, 2009
3GAV
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BU of 3gav by Molmil
Solution structure of Human Complement Factor H in 137 mM NaCl buffer
Descriptor: Complement factor H
Authors:Okemefuna, A.I, Nan, R, Gor, J, Perkins, S.J.
Deposit date:2009-02-18
Release date:2009-06-09
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Electrostatic interactions contribute to the folded-back conformation of wild type human factor H.
J.Mol.Biol., 391, 2009
3GAW
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BU of 3gaw by Molmil
Solution structure of Human Complement Factor H in 250 mM NaCl buffer
Descriptor: Complement factor H
Authors:Okemefuna, A.I, Nan, R, Gor, J, Perkins, S.J.
Deposit date:2009-02-18
Release date:2009-06-09
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Electrostatic interactions contribute to the folded-back conformation of wild type human factor H.
J.Mol.Biol., 391, 2009
3HQB
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BU of 3hqb by Molmil
Crystal structure of human desarg-C5A
Descriptor: Complement C5
Authors:Cook, W.J, Ealick, S.E.
Deposit date:2009-06-05
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Structure of human desArg-C5a.
Acta Crystallogr.,Sect.D, 66, 2010
3HQA
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BU of 3hqa by Molmil
Crystal structure of human desarg-C5A
Descriptor: Complement C5
Authors:Cook, W.J, Ealick, S.E.
Deposit date:2009-06-05
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Structure of human desArg-C5a.
Acta Crystallogr.,Sect.D, 66, 2010
4AGW
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BU of 4agw by Molmil
Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ...
Authors:Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D.
Deposit date:2012-02-01
Release date:2012-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
3EAC
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BU of 3eac by Molmil
Crystal structure of SH2 domain of Human Csk (carboxyl-terminal src kinase), Oxidized form.
Descriptor: Tyrosine-protein kinase CSK
Authors:Liu, D, Seidel, R.D, Cowburn, D.
Deposit date:2008-08-25
Release date:2009-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Combining biophysical methods to analyze the disulfide bond in SH2 domain of C-terminal Src kinase.
Biophys Rep, 2, 2016
3LNX
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BU of 3lnx by Molmil
Second PDZ domain from human PTP1E
Descriptor: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
Authors:Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-02-03
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
3E0U
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BU of 3e0u by Molmil
Crystal structure of T. cruzi GPX1
Descriptor: AMMONIUM ION, GLYCEROL, Glutathione peroxidase
Authors:Patel, S.H, Hussain, S, Harris, R, Driscoll, P, Djordjevic, S.
Deposit date:2008-08-01
Release date:2009-08-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of Trypanosoma cruzi GPXI (glutathione peroxidase-like enzyme I).
Biochem.J., 425, 2010
6R3M
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BU of 6r3m by Molmil
Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide
Descriptor: ACETATE ION, CALCIUM ION, Endoglucanase H, ...
Authors:Ribeiro, D.O, Carvalho, A.L.
Deposit date:2019-03-20
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum.
Febs J., 287, 2020
6R4W
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BU of 6r4w by Molmil
Crystal structure of apo PPEP-1(E143A/Y178F) in complex with substrate peptide Ac-EVNAPVP-CONH2
Descriptor: ACE-GLU-VAL-ASN-ALA-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R56
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BU of 6r56 by Molmil
Crystal structure of PPEP-1(K101E/E184K)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R4Z
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BU of 6r4z by Molmil
Crystal structure of holo PPEP-1(E143A/Y178F) in complex with product peptide Ac-EVNP-CO2 (substrate peptide: Ac-EVNPPVP-CONH2)
Descriptor: ACE-GLU-VAL-ASN-PRO, NICKEL (II) ION, Pro-Pro endopeptidase, ...
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.052 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R59
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BU of 6r59 by Molmil
Crystal structure of PPEP-1(E143A/Y178F) in complex with substrate peptide Ac-EVAPPVP-NH2
Descriptor: ACE-GLU-VAL-ALA-PRO-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6LF1
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BU of 6lf1 by Molmil
SeviL, a GM1b/asialo-GM1 binding lectin
Descriptor: CHLORIDE ION, SeviL
Authors:Kamata, K, Ozeki, Y, Park, S.-Y, Tame, J.R.H.
Deposit date:2019-11-28
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of SeviL, a GM1b/asialo-GM1 binding R-type lectin from the mussel Mytilisepta virgata.
Sci Rep, 10, 2020
5HS7
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BU of 5hs7 by Molmil
Reduced form of the transcriptional regulator YodB from B. subtilis
Descriptor: GLYCEROL, HTH-type transcriptional regulator YodB
Authors:Lee, S.J, Lee, I.G, Lee, B.J.
Deposit date:2016-01-25
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two distinct mechanisms of transcriptional regulation by the redox sensor YodB
Proc.Natl.Acad.Sci.USA, 113, 2016
6R36
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BU of 6r36 by Molmil
T. brucei farnesyl pyrophosphate synthase (FPPS)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020

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數據於2024-07-17公開中

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