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3F2E
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BU of 3f2e by Molmil
Crystal structure of Yellowstone SIRV coat protein C-terminus
Descriptor: CITRIC ACID, SIRV coat protein
Authors:Taurog, R.E, Szymczyna, B.R, Williamson, J.R, Johnson, J.E.
Deposit date:2008-10-29
Release date:2009-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Synergy of NMR, computation, and X-ray crystallography for structural biology.
Structure, 17, 2009
3DJ7
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BU of 3dj7 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130.
Descriptor: 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
Deposit date:2008-06-22
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New fragment-based drug discovery
To be Published
3DJ5
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BU of 3dj5 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290.
Descriptor: 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6
Authors:Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
Deposit date:2008-06-22
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New fragment-based drug discovery
To be Published
3DWW
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BU of 3dww by Molmil
Electron crystallographic structure of human microsomal prostaglandin E synthase 1
Descriptor: GLUTATHIONE, Prostaglandin E synthase
Authors:Hebert, H, Jegerschold, C.
Deposit date:2008-07-23
Release date:2009-07-28
Last modified:2024-03-20
Method:ELECTRON CRYSTALLOGRAPHY (3.5 Å)
Cite:Structural basis for induced formation of the inflammatory mediator prostaglandin E2
Proc.Natl.Acad.Sci.USA, 105, 2008
3DJ6
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BU of 3dj6 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823.
Descriptor: 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6
Authors:Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
Deposit date:2008-06-22
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:New fragment-based drug discovery
To be Published
3E1N
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BU of 3e1n by Molmil
Crystal structure of E. coli Bacterioferritin (BFR) after a 65 minute (aerobic) exposure to FE(II) revealing a possible MU-OXO bridge/MU-Hydroxy bridged DIIRON intermediate at the ferroxidase centre. (FE(III)-O-FE(III)-BFR).
Descriptor: BACTERIOFERRITIN, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Crow, A, Lawson, T, Lewin, A, Moore, G.R, Le Brun, N.
Deposit date:2008-08-04
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for iron mineralization by bacterioferritin
J.Am.Chem.Soc., 131, 2009
3DL5
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BU of 3dl5 by Molmil
Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ...
Authors:Vargo, M.A, Martucci, W.E, Anderson, K.S.
Deposit date:2008-06-26
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
3EH4
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BU of 3eh4 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
Descriptor: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
Deposit date:2008-09-11
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
3FI1
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BU of 3fi1 by Molmil
NhaA dimer model
Descriptor: Na(+)/H(+) antiporter nhaA
Authors:Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W.
Deposit date:2008-12-10
Release date:2009-01-13
Last modified:2024-02-21
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states
J.Mol.Biol., 386, 2009
3ESP
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BU of 3esp by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-3,5-dimethyl-4-hydroxybenzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3ESO
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BU of 3eso by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide
Descriptor: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3EQL
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BU of 3eql by Molmil
Crystal structure of the T. Thermophilus RNA polymerase holoenzyme in complex with antibiotic myxopyronin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I.
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Transcription inactivation through local refolding of the RNA polymerase structure.
Nature, 457, 2009
3ESN
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BU of 3esn by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
3HJ0
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BU of 3hj0 by Molmil
Transthyretin in complex with a covalent small molecule kinetic stabilizer
Descriptor: 4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate, Transthyretin
Authors:Connelly, S, Wilson, I.A, Kelly, J.W.
Deposit date:2009-05-20
Release date:2009-12-22
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Chemoselective small molecules that covalently modify one lysine in a non-enzyme protein in plasma.
Nat.Chem.Biol., 6, 2010
3HGB
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BU of 3hgb by Molmil
Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis
Descriptor: Glycine cleavage system H protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-05-13
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
3HKB
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BU of 3hkb by Molmil
Tubulin: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
3HKD
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BU of 3hkd by Molmil
Tubulin-TN16 : RB3 stathmin-like domain complex
Descriptor: (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M.
Deposit date:2009-05-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7COZ
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BU of 7coz by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41
Descriptor: 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-08-05
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
8HY3
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BU of 8hy3 by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
Descriptor: 5-methyl-1-(phenylmethyl)imidazole, CARBON DIOXIDE, GLYCEROL, ...
Authors:Li, G.-B, Deng, J.
Deposit date:2023-01-05
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
To Be Published
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CP0
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BU of 7cp0 by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-08-05
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
8IS2
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BU of 8is2 by Molmil
Crystal structure of a polyketide aromatase/cyclase Abx(+)D from Actinomycetes sp. MA7150.
Descriptor: Cyclase
Authors:Luo, S, Chen, X.
Deposit date:2023-03-20
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:An unusual aromatase/cyclase programs the formation of the phenyldimethylanthrone framework in anthrabenzoxocinones and fasamycin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JES
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BU of 8jes by Molmil
Cryo-EM structure of DltB homo-tetramer
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Zhang, P, Liu, Z.
Deposit date:2023-05-16
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
8JF2
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BU of 8jf2 by Molmil
Cryo-EM structure of tetrameric DltB/DltC complex
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, D-alanyl carrier protein, DIACYL GLYCEROL, ...
Authors:Zhang, P, Liu, Z.
Deposit date:2023-05-17
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024

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数据于2024-10-16公开中

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