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3URA
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BU of 3ura by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T
Descriptor: COBALT (II) ION, IMIDAZOLE, Parathion hydrolase
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-21
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
3URN
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BU of 3urn by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor
Descriptor: COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ...
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-22
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
6IR0
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BU of 6ir0 by Molmil
Zinc finger domain of the human DTX protein
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Miyamoto, K.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Zinc finger domain of the human DTX protein adopts a unique RING fold.
Protein Sci., 28, 2019
2VJ3
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BU of 2vj3 by Molmil
Human Notch-1 EGFs 11-13
Descriptor: CALCIUM ION, CHLORIDE ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, ...
Authors:Johnson, S, Cordle, J, Tay, J.Z, Roversi, P, Lea, S.M.
Deposit date:2007-12-06
Release date:2008-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Conserved Face of the Jagged/Serrate Dsl Domain is Involved in Notch Trans-Activation and Cis-Inhibition.
Nat.Struct.Mol.Biol., 15, 2008
3M8Z
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BU of 3m8z by Molmil
Phosphopentomutase from Bacillus cereus bound with ribose-5-phosphate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ...
Authors:Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
Deposit date:2010-03-19
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
1FRQ
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BU of 1frq by Molmil
FERREDOXIN:NADP+ OXIDOREDUCTASE (FERREDOXIN REDUCTASE) MUTANT E312A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE), ...
Authors:Aliverti, A, Deng, Z, Ravasi, D, Piubelli, L, Karplus, P.A, Zanetti, G.
Deposit date:1998-10-10
Release date:1998-10-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the function of the invariant glutamyl residue 312 in spinach ferredoxin-NADP+ reductase.
J.Biol.Chem., 273, 1998
4AQ5
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BU of 4aq5 by Molmil
Gating movement in acetylcholine receptor analysed by time-resolved electron cryo-microscopy (closed class)
Descriptor: ACETYLCHOLINE RECEPTOR BETA SUBUNIT, ACETYLCHOLINE RECEPTOR DELTA SUBUNIT, ACETYLCHOLINE RECEPTOR GAMMA SUBUNIT, ...
Authors:Unwin, N, Fujiyoshi, Y.
Deposit date:2012-04-12
Release date:2012-08-01
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Gating Movement of Acetylcholine Receptor Caught by Plunge-Freezing.
J.Mol.Biol., 422, 2012
6OJD
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BU of 6ojd by Molmil
A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
Descriptor: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
6D3E
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BU of 6d3e by Molmil
PPARg LBD in Complex with SR1988
Descriptor: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Bruning, J.B.
Deposit date:2018-04-15
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
3DRO
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BU of 3dro by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN grown in ammonium sulfate
Descriptor: 2F5 Fab heavy chain, 2F5 Fab light chain, ELLELDKWASLWN gp41 peptide
Authors:Julien, J.-P, Bryson, S, Pai, E.F.
Deposit date:2008-07-11
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
3NB7
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BU of 3nb7 by Molmil
Crystal structure of Aquifex Aeolicus Peptidoglycan Glycosyltransferase in complex with Decarboxylated Neryl Moenomycin
Descriptor: Penicillin-binding protein 1A
Authors:Sliz, P, Yuan, Y, Walker, S.
Deposit date:2010-06-02
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Functional and structural analysis of a key region of the cell wall inhibitor moenomycin.
Acs Chem.Biol., 5, 2010
4QF5
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BU of 4qf5 by Molmil
Crystal structure I of MurF from Acinetobacter baumannii
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Authors:An, Y.J, Jeong, C.S, Cha, S.S.
Deposit date:2014-05-19
Release date:2015-04-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:ATP-binding mode including a carbamoylated lysine and two Mg(2+) ions, and substrate-binding mode in Acinetobacter baumannii MurF
Biochem.Biophys.Res.Commun., 450, 2014
3UR5
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BU of 3ur5 by Molmil
Crystal Structure of PTE mutant K185R/I274N
Descriptor: COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-21
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
3URQ
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BU of 3urq by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H with cyclohexyl methylphosphonate inhibitor
Descriptor: COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ...
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-22
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
1QXE
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BU of 1qxe by Molmil
Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds
Descriptor: 5-HYDROXYMETHYL-FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ...
Authors:Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J.
Deposit date:2003-09-05
Release date:2003-09-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
J.Med.Chem., 47, 2004
2ADM
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BU of 2adm by Molmil
ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-15
Release date:1997-01-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
2H4W
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BU of 2h4w by Molmil
Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
3P0Q
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BU of 3p0q by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
2VPM
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BU of 2vpm by Molmil
Trypanothione synthetase
Descriptor: BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE
Authors:Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N.
Deposit date:2008-03-03
Release date:2008-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities.
J.Biol.Chem., 283, 2008
3URB
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BU of 3urb by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H
Descriptor: COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ...
Authors:Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
Deposit date:2011-11-21
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
6FNJ
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BU of 6fnj by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
4AQ9
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BU of 4aq9 by Molmil
Gating movement in acetylcholine receptor analysed by time- resolved electron cryo-microscopy (open class)
Descriptor: ACETYLCHOLINE RECEPTOR BETA SUBUNIT, ACETYLCHOLINE RECEPTOR DELTA SUBUNIT, ACETYLCHOLINE RECEPTOR GAMMA SUBUNIT, ...
Authors:Unwin, N, Fujiyoshi, Y.
Deposit date:2012-04-13
Release date:2012-08-01
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Gating Movement of Acetylcholine Receptor Caught by Plunge-Freezing.
J.Mol.Biol., 422, 2012
1V2I
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BU of 1v2i by Molmil
Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lawrence, M.C, Borg, N.A, Streltsov, V.A, Pilling, P.A, Epa, V.C, Varghese, J.N, McKimm-Breschkin, J.L, Colman, P.M.
Deposit date:2003-10-16
Release date:2004-02-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Haemagglutinin-neuraminidase from Human Parainfluenza Virus Type III
J.Mol.Biol., 335, 2004
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
2C84
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BU of 2c84 by Molmil
CRYSTAL STRUCTURE OF THE SIALYLTRANSFERASE PM0188 WITH CMP
Descriptor: ALPHA-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE, CYTIDINE-5'-MONOPHOSPHATE
Authors:Kim, D.U, Cho, H.S.
Deposit date:2005-12-01
Release date:2007-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural analysis of sialyltransferase PM0188 from Pasteurella multocida complexed with donor analogue and acceptor sugar.
Bmb Rep, 41, 2008

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数据于2024-10-16公开中

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