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PDB: 1595 件

2IGF
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CRYSTAL STRUCTURES OF AN ANTIBODY TO A PEPTIDE AND ITS COMPLEX WITH PEPTIDE ANTIGEN AT 2.8 ANGSTROMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGG1-KAPPA B13I2 FAB (HEAVY CHAIN), IGG1-KAPPA B13I2 FAB (LIGHT CHAIN), ...
著者Stanfield, R.L, Wilson, I.A.
登録日1991-03-21
公開日1992-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of an antibody to a peptide and its complex with peptide antigen at 2.8 A.
Science, 248, 1990
2INT
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4
分子名称: INTERLEUKIN-4
著者Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
登録日1993-07-22
公開日1994-01-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of recombinant human interleukin-4.
J.Biol.Chem., 267, 1992
2FTE
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Bacteriophage HK97 Expansion Intermediate IV
分子名称: major capsid protein
著者Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
登録日2006-01-24
公開日2006-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY
主引用文献Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
8C78
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Crystal structure of human BCL6 BTB domain in complex with compound CCT374705
分子名称: (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
著者Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2023-01-13
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.
J.Med.Chem., 66, 2023
2GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED GLUTATHIONE COMPLEX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, OXIDIZED GLUTATHIONE DISULFIDE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3GRT
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HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
分子名称: 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
2NCK
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CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Williams, R.L, Oren, D.A, Arnold, E.
登録日1993-11-15
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
4F35
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Crystal Structure of a bacterial dicarboxylate/sodium symporter
分子名称: CITRIC ACID, SODIUM ION, Transporter, ...
著者Mancusso, R.L, Gregorio, G.G, Liu, Q, Wang, D.N.
登録日2012-05-08
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Structure and mechanism of a bacterial sodium-dependent dicarboxylate transporter.
Nature, 491, 2012
3ENZ
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BU of 3enz by Molmil
Arsenolytic structure of Plasmodium falciparum purine nucleoside phosphorylase with hypoxanthine, ribose and arsenate ion
分子名称: 1,4-anhydro-D-ribitol, ARSENATE, FORMIC ACID, ...
著者Chaikuad, A, Brady, R.L.
登録日2008-09-26
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conservation of structure and activity in Plasmodium purine nucleoside phosphorylases.
Bmc Struct.Biol., 9, 2009
3E9J
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BU of 3e9j by Molmil
Structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB
分子名称: Thiol/disulfide oxidoreductase DsbA, Thiol/disulfide oxidoreductase DsbB, UBIQUINONE-1
著者Malojcic, G, Owen, R.L, Glockshuber, R.
登録日2008-08-22
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Preparation and structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB.
Febs Lett., 582, 2008
3EFS
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BU of 3efs by Molmil
Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, ...
著者Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
登録日2008-09-10
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
3ENE
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BU of 3ene by Molmil
Complex of PI3K gamma with an inhibitor
分子名称: 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
3ETT
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BU of 3ett by Molmil
Crystal structure of a bacterial arylsulfate sulfotransferase catalytic intermediate with 4-nitrophenol bound in the active site
分子名称: Arylsulfate sulfotransferase, P-NITROPHENOL, SULFATE ION
著者Malojcic, G, Owen, R.L, Grimshaw, J.P, Glockshuber, R.
登録日2008-10-08
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural and biochemical basis for PAPS-independent sulfuryl transfer by aryl sulfotransferase from uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
3ETS
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BU of 3ets by Molmil
Crystal structure of a bacterial arylsulfate sulfotransferase catalytic intermediate with 4-methylumbelliferone bound in the active site
分子名称: 7-hydroxy-4-methyl-2H-chromen-2-one, Arylsulfate sulfotransferase, SULFATE ION
著者Malojcic, G, Owen, R.L, Grimshaw, J.P, Glockshuber, R.
登録日2008-10-08
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A structural and biochemical basis for PAPS-independent sulfuryl transfer by aryl sulfotransferase from uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
8SIV
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BU of 8siv by Molmil
Structure of Compound 2 bound to the CHK1 10-point mutant
分子名称: N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2023-04-17
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIX
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BU of 8six by Molmil
Structure of Compound 13 bound to the CHK1 10-point mutant
分子名称: (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2023-04-17
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIW
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BU of 8siw by Molmil
Structure of Compound 5 bound to the CHK1 10-point mutant
分子名称: (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2023-04-17
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.877 Å)
主引用文献Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SNI
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Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations
分子名称: (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ...
著者Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K.
登録日2023-04-27
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献To be published
To Be Published
8T5X
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BU of 8t5x by Molmil
Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)
分子名称: Transthyretin
著者Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E.
登録日2023-06-14
公開日2023-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 2024
8UPI
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Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
分子名称: 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ...
著者Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J.
登録日2023-10-22
公開日2023-11-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides.
Biochemistry, 63, 2024
1BOZ
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STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS
分子名称: N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE)
著者Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W.
登録日1998-08-06
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
J.Med.Chem., 41, 1998
1NMC
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BU of 1nmc by Molmil
COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
著者Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M.
登録日1997-12-21
公開日1998-09-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
7ZWR
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BU of 7zwr by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11
分子名称: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWX
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Crystal structure of human BCL6 BTB domain in complex with compound 19
分子名称: 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWU
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Crystal structure of human BCL6 BTB domain in complex with compound 15
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022

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