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2ORO
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BU of 2oro by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex
分子名称: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2PQJ
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BU of 2pqj by Molmil
Crystal structure of active ribosome inactivating protein from maize (b-32), complex with adenine
分子名称: ADENINE, Ribosome-inactivating protein 3
著者Mak, A.N.S, Au, S.W.N, Cha, S.S, Young, J.A, Wong, K.B, Shaw, P.C.
登録日2007-05-02
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
2O7N
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BU of 2o7n by Molmil
CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
分子名称: 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L
著者Sheriff, S.
登録日2006-12-11
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
2OX2
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BU of 2ox2 by Molmil
Structure of the cantionic, antimicrobial hexapeptide cyclo(RRWWFR) bound to DPC-micelles
分子名称: cRW2 peptide
著者Appelt, C, Wessolowski, A, Soderhall, J.A, Dathe, M, Schmieder, P.
登録日2007-02-19
公開日2007-12-25
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structures of cyclic, antimicrobial peptides in a membrane-mimicking environment define requirements for activity.
J.Pept.Sci., 14, 2007
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
分子名称: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORP
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BU of 2orp by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex
分子名称: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORR
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BU of 2orr by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORT
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BU of 2ort by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex
分子名称: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
分子名称: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
著者Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
登録日2007-03-16
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2PQI
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BU of 2pqi by Molmil
Crystal structure of active ribosome inactivating protein from maize (b-32)
分子名称: Ribosome-inactivating protein 3
著者Mak, A.N.S, Wong, Y.T, Young, J.A, Cha, S.S, Sze, K.H, Au, S.W.N, Wong, K.B, Shaw, P.C.
登録日2007-05-02
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
2PQG
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BU of 2pqg by Molmil
Crystal structure of inactive ribosome inactivating protein from maize (b-32)
分子名称: Ribosome-inactivating protein 3
著者Mak, A.N.S, Wong, Y.T, Young, J.A, Cha, S.S, Sze, K.H, Au, S.W.N, Wong, K.B, Shaw, P.C.
登録日2007-05-02
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function study of maize ribosome-inactivating protein: implications for the internal inactivation region and the sole glutamate in the active site.
Nucleic Acids Res., 35, 2007
2PNC
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BU of 2pnc by Molmil
Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine
分子名称: 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L.
登録日2007-04-24
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences
Mol.Pharmacol., 73, 2008
2P82
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BU of 2p82 by Molmil
Cysteine protease ATG4A
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cysteine protease ATG4A
著者Walker, J.R, Davis, T, Mujib, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-03-21
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human cysteine protease ATG4A
To be Published
4QS6
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BU of 4qs6 by Molmil
CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT
分子名称: 4-hydroxy-3-methoxy-5-nitrobenzoic acid, CHLORIDE ION, GLYCEROL, ...
著者Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C.
登録日2014-07-03
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal Structure of Ligw2 Decarboxylase from Novosphingobium Aromaticivorans
To be Published
4QRN
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BU of 4qrn by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID
分子名称: 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-Carboxyvanillate Decarboxylase, ACETATE ION, ...
著者Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C.
登録日2014-07-01
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans
To be Published
4QTG
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BU of 4qtg by Molmil
CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE
分子名称: 5-CARBOXYVANILLATE DECARBOXYLASE, GLYCEROL, MANGANESE (II) ION
著者Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C.
登録日2014-07-07
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 from Novosphingobium Aromaticivorans
To be Published
4QRO
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BU of 4qro by Molmil
CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL
分子名称: 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ...
著者Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C.
登録日2014-07-01
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL
To be Published
4QSF
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BU of 4qsf by Molmil
CRYSTAL STRUCTURE of AMIDOHYDROLASE PMI1525 (TARGET EFI-500319) FROM PROTEUS MIRABILIS HI4320, A COMPLEX WITH BUTYRIC ACID AND MANGANESE
分子名称: Amidohydrolase Pmi1525, MANGANESE (II) ION, SULFATE ION, ...
著者Patskovsky, Y, Toro, R, Xiang, D.F, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-07-03
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
3EG2
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BU of 3eg2 by Molmil
Crystal structure of the N114Q mutant of ABL-SH3 domain
分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2008-09-10
公開日2009-09-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
2VPF
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BU of 2vpf by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR REFINED TO 1.93 ANGSTROMS RESOLUTION
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR
著者Muller, Y.A, De Vos, A.M.
登録日1997-07-29
公開日1998-07-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structure of vascular endothelial growth factor (VEGF) refined to 1.93 A resolution: multiple copy flexibility and receptor binding.
Structure, 5, 1997
3EHW
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BU of 3ehw by Molmil
Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase
著者Takacs, E, Barabas, O, Vertessy, B.G.
登録日2008-09-15
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
To be Published
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Ba
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-01-28
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
4YQC
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BU of 4yqc by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published

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