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3NXO
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BU of 3nxo by Molmil
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-14
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3NXV
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BU of 3nxv by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
Descriptor: 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-14
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
2FQD
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BU of 2fqd by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
5IO1
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BU of 5io1 by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN Z ALPHA-1-ANTITRYPSIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1-antitrypsin
Authors:Zhou, A.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Molecular Mechanism of Z alpha 1-Antitrypsin Deficiency
J. Biol. Chem., 291, 2016
2FQE
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BU of 2fqe by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FQG
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BU of 2fqg by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
3PBK
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BU of 3pbk by Molmil
Structural and Functional Studies of Fatty Acyl-Adenylate Ligases from E. coli and L. pneumophila
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Fatty Acyl-Adenylate Ligase
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
2FQF
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BU of 2fqf by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2ESL
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BU of 2esl by Molmil
Human Cyclophilin C in Complex with Cyclosporin A
Descriptor: CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ...
Authors:Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-10-26
Release date:2005-12-13
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
3PWT
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BU of 3pwt by Molmil
Crystal structure of mutant E.coli topoisomerase IA
Descriptor: DNA topoisomerase, SULFATE ION
Authors:Zhang, Z, Bokun, C, Tse-Dinh, Y.-C.
Deposit date:2010-12-08
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of mutant E.coli topoisomerase IA
To be Published
2GAE
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BU of 2gae by Molmil
Crystal structure of MltA from E. coli
Descriptor: Membrane-bound lytic murein transglycosylase A
Authors:Powell, A.J, Liu, Z.J, Nicholas, R.A, Davies, C.
Deposit date:2006-03-08
Release date:2006-05-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of the Lytic Transglycosylase MltA from N.gonorrhoeae and E.coli: Insights into Interdomain Movements and Substrate Binding.
J.Mol.Biol., 359, 2006
400D
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BU of 400d by Molmil
THE INTRINSIC STRUCTURE AND STABILITY OF OUT-OF-ALTERNATION BASE PAIRS IN Z-DNA
Descriptor: DNA (5'-D(*(5CM)P*GP*GP*CP*(5CM)P*G)-3')
Authors:Eichman, B.F, Basham, B, Schroth, G.P, Ho, P.S.
Deposit date:1998-05-28
Release date:1998-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The intrinsic structure and stability of out-of-alternation base pairs in Z-DNA.
Nucleic Acids Res., 27, 1999
1ZNA
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BU of 1zna by Molmil
CONFORMATION AND DYNAMICS IN A Z-DNA TETRAMER
Descriptor: DNA (5'-D(*CP*GP*CP*G)-3')
Authors:Drew, H.R, Dickerson, R.E.
Deposit date:1981-01-26
Release date:1981-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformation and dynamics in a Z-DNA tetramer.
J.Mol.Biol., 152, 1981
1PL9
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BU of 1pl9 by Molmil
Crystal structure of KDO8P synthase in its binary complex with substrate analog Z-FPEP
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, 3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID
Authors:Vainer, R, Adir, N, Baasov, T, Belakhov, V, Rabkin, E.
Deposit date:2003-06-08
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of KDO8P synthase in its binary complex with substrate analog Z-FPEP
To be Published
1SCZ
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BU of 1scz by Molmil
Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase
Descriptor: Dihydrolipoamide Succinyltransferase
Authors:Schormann, N, Symersky, J, Carson, M, Luo, M, Tsao, J, Johnson, D, Huang, W.-Y, Pruett, P, Lin, G, Li, S, Qiu, S, Arabashi, A, Bunzel, B, Luo, D, Nagy, L, Gray, R, Luan, C.-H, Zhang, Z, Lu, S, DeLucas, L.
Deposit date:2004-02-12
Release date:2004-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase
To be Published
2SPZ
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BU of 2spz by Molmil
STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES
Descriptor: IMMUNOGLOBULIN G BINDING PROTEIN A
Authors:Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution solution NMR structure of the Z domain of staphylococcal protein A.
J.Mol.Biol., 272, 1997
3A9F
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BU of 3a9f by Molmil
Crystal structure of the C-terminal domain of cytochrome cz from Chlorobium tepidum
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Cytochrome c, HEME C, ...
Authors:Hirano, Y, Higuchi, M, Azai, C, Oh-oka, H, Miki, K, Wang, Z.-Y.
Deposit date:2009-10-25
Release date:2010-03-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the electron carrier domain of the reaction center cytochrome c(z) subunit from green photosynthetic bacterium Chlorobium tepidum
J.Mol.Biol., 397, 2010
2ELG
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BU of 2elg by Molmil
The rare crystallographic structure of d(CGCGCG)2: The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)2 at 10 degree celsius
Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, SODIUM ION, ...
Authors:Ohishi, H, Tozuka, Y, Zhou, D.Y, Ishida, T, Nakatani, K.
Deposit date:2007-03-27
Release date:2008-04-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:The rare crystallographic structure of d(CGCGCG)(2): The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)(2) at 10 degrees C
Biochem.Biophys.Res.Commun., 358, 2007
4V41
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BU of 4v41 by Molmil
E. COLI (LAC Z) BETA-GALACTOSIDASE (NCS CONSTRAINED MONOMER-MONOCLINIC)
Descriptor: BETA-GALACTOSIDASE, MAGNESIUM ION
Authors:Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W.
Deposit date:2000-06-07
Release date:2014-07-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation.
Protein Sci., 9, 2000
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
Descriptor: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
Authors:Hargreaves, D.
Deposit date:2024-01-16
Release date:2024-07-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
4CM8
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BU of 4cm8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM6
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BU of 4cm6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
6EYI
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BU of 6eyi by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669
Descriptor: (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:E-selectin lectin with different glycomimetic ligands
To Be Published
6Y5M
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BU of 6y5m by Molmil
Crystal structure of mouse Autotaxin in complex with compound 1a
Descriptor: (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Faller, M, Zink, F.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
6GL9
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BU of 6gl9 by Molmil
Crystal structure of JAK3 in complex with Compound 10 (FM475)
Descriptor: (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ...
Authors:Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-05-23
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
J. Med. Chem., 61, 2018

238582

数据于2025-07-09公开中

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