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5KAV
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BU of 5kav by Molmil
The structure of SAV2435
分子名称: GLYCEROL, SA2223 protein
著者Moreno, A, Wade, H.
登録日2016-06-02
公開日2016-08-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
3LRS
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BU of 3lrs by Molmil
Structure of PG16, an antibody with broad and potent neutralization of HIV-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PG-16 Heavy Chain Fab, PG-16 Light Chain Fab
著者Pancera, M, Kwong, P.D.
登録日2010-02-11
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
4IWD
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BU of 4iwd by Molmil
Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog
分子名称: 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor
著者Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T.
登録日2013-01-23
公開日2013-12-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.
J.Med.Chem., 56, 2013
5K5H
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BU of 5k5h by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF4-7 and DNA complex structure
分子名称: DNA (5'-D(*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*G)-3'), Transcriptional repressor CTCF, ...
著者Hashimoto, H, Cheng, X.
登録日2016-05-23
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5K6K
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BU of 5k6k by Molmil
Zika virus non-structural protein 1 (NS1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Akey, D.L, Brown, W.C, Smith, J.L.
登録日2016-05-24
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Extended surface for membrane association in Zika virus NS1 structure.
Nat.Struct.Mol.Biol., 23, 2016
5KAT
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BU of 5kat by Molmil
The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM
分子名称: GLYCEROL, SA2223 protein, TETRAPHENYLPHOSPHONIUM
著者Moreno, A, Wade, H.
登録日2016-06-02
公開日2016-08-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
5K6U
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BU of 5k6u by Molmil
Sidekick-1 immunoglobulin domains 1-4, crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CESIUM ION, IODIDE ION, ...
著者Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
4JIZ
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BU of 4jiz by Molmil
Human Mob1-phosphopeptide complex
分子名称: MOB kinase activator 1A, ZINC ION, phosphopeptide
著者Stach, L, Ogrodowicz, R.W, Rock, J.M, Lim, D, Yaffe, M.B, Amon, A, Smerdon, S.J.
登録日2013-03-07
公開日2013-04-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activation of the yeast Hippo pathway by phosphorylation-dependent assembly of signaling complexes.
Science, 340, 2013
5K6X
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Sidekick-2 immunoglobulin domains 1-4, crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
3LJT
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BU of 3ljt by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound
分子名称: (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 1,2-ETHANEDIOL, A disintegrin and metalloproteinase with thrombospondin motifs 5, ...
著者Shieh, H.-S, Williams, J.M, Caspers, N.
登録日2010-01-26
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
5K5J
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BU of 5k5j by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF5-8 and DNA complex structure in space group P41212
分子名称: ACETATE ION, DNA (5'-D(*CP*CP*CP*TP*GP*CP*TP*GP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*G)-3'), ...
著者Hashimoto, H, Cheng, X.
登録日2016-05-23
公開日2017-05-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
4K12
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BU of 4k12 by Molmil
Structural Basis for Host Specificity of Factor H Binding by Streptococcus pneumoniae
分子名称: Choline binding protein A, Complement factor H
著者Liu, A, Achila, D, Banerjee, R, Martinez-Hackert, E, Li, Y, Yan, H.
登録日2013-04-04
公開日2014-04-09
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
4K44
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BU of 4k44 by Molmil
Auto-inhibition and phosphorylation-induced activation of PLC-gamma isozymes
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
著者Hajicek, N, Sondek, J.
登録日2013-04-11
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Autoinhibition and Phosphorylation-Induced Activation of Phospholipase C-gamma Isozymes.
Biochemistry, 52, 2013
5KCB
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BU of 5kcb by Molmil
The structure of SAV2435 bound to ethidium bromide
分子名称: ETHIDIUM, SA2223 protein, SULFATE ION
著者Moreno, A, Wade, H.
登録日2016-06-06
公開日2016-08-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
4KLB
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BU of 4klb by Molmil
Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
分子名称: 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain
著者Fernandes, W.B, Montanari, C.A, Mckerrow, J.H.
登録日2013-05-07
公開日2013-09-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
5HUC
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BU of 5huc by Molmil
DAHP synthase from Corynebacterium glutamicum
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, MANGANESE (II) ION, ...
著者Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
登録日2016-01-27
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5HVL
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BU of 5hvl by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A
分子名称: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], SULFATE ION, ...
著者Miao, Y, Brennan, R.G.
登録日2016-01-28
公開日2017-05-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
2CD2
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BU of 2cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
登録日1999-03-15
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
分子名称: Ubiquitin variant P1.1, WWP1 HECT
著者Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
登録日2016-01-20
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5K6Y
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BU of 5k6y by Molmil
Sidekick-2 immunoglobulin domains 1-4, crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Protein sidekick-2
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular basis of sidekick-mediated cell-cell adhesion and specificity.
Elife, 5, 2016
5KGW
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BU of 5kgw by Molmil
HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
著者Feng, L, Kobe, M, Kvaratskhelia, M.
登録日2016-06-13
公開日2016-10-19
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
1LVL
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BU of 1lvl by Molmil
THE REFINED STRUCTURE OF PSEUDOMONAS PUTIDA LIPOAMIDE DEHYDROGENASE COMPLEXED WITH NAD+ AT 2.45 ANGSTROMS RESOLUTION
分子名称: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mattevi, A, Hol, W.G.J.
登録日1992-12-16
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The refined crystal structure of Pseudomonas putida lipoamide dehydrogenase complexed with NAD+ at 2.45 A resolution.
Proteins, 13, 1992
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
3LXN
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Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Non-receptor tyrosine-protein kinase TYK2
著者Chrencik, J.E, Benson, T.E.
登録日2010-02-25
公開日2010-06-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010

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