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2RL0
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BU of 2rl0 by Molmil
Crystal structure of the fourth and fifth fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5
分子名称: Fibronectin, Fibronectin-binding protein
著者Bingham, R.J.
登録日2007-10-18
公開日2008-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of fibronectin-binding sites from Staphylococcus aureus FnBPA in complex with fibronectin domains
Proc.Natl.Acad.Sci.Usa, 105, 2008
5I49
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BU of 5i49 by Molmil
RNA Editing TUTase 1 from Trypanosoma brucei in complex with UTP analog UMPNPP
分子名称: 3' terminal uridylyl transferase, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, ...
著者Thore, S, Rajappa, L.T.
登録日2016-02-11
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
6URH
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BU of 6urh by Molmil
Crystal structure of broadly neutralizing antibody AR3X in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AR3X Heavy Chain, ...
著者Flyak, A.I, Bjorkman, P.J.
登録日2019-10-23
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An ultralong CDRH2 in HCV neutralizing antibody demonstrates structural plasticity of antibodies against E2 glycoprotein.
Elife, 9, 2020
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
分子名称: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.1752 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I8C
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BU of 5i8c by Molmil
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
分子名称: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I88
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BU of 5i88 by Molmil
BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6V7F
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BU of 6v7f by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13
分子名称: Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
著者Palte, R.L, Lesburg, C.A.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
6V4G
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BU of 6v4g by Molmil
Crystal Structure Analysis of Zebra fish MDMX
分子名称: Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-27
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6UYK
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BU of 6uyk by Molmil
Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form.
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein
著者Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N.
登録日2019-11-13
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding.
J.Biol.Chem., 296, 2020
2RKY
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BU of 2rky by Molmil
Crystal structure of the fourth and fifth fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-1
分子名称: Fibronectin, Fibronectin-binding protein, POTASSIUM ION, ...
著者Bingham, R.J.
登録日2007-10-18
公開日2008-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of fibronectin-binding sites from Staphylococcus aureus FnBPA in complex with fibronectin domains
Proc.Natl.Acad.Sci.Usa, 105, 2008
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I8H
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BU of 5i8h by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer in Complex with V3 Loop-targeting Antibody PGT122 Fab and Fusion Peptide-targeting Antibody VRC34.01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.664 gp120, ...
著者Xu, K, Zhou, T, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.301 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
6V7U
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BU of 6v7u by Molmil
Structure of a phage-encoded quorum sensing anti-activator, Aqs1
分子名称: Quorum sensing anti-activator protein Aqs1
著者Shah, M, Moraes, T.F, Maxwell, K.L.
登録日2019-12-09
公開日2020-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
2UVK
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BU of 2uvk by Molmil
Structure of YjhT
分子名称: YJHT
著者Muller, A, Severi, E, Wilson, K.S, Thomas, G.H.
登録日2007-03-12
公開日2007-12-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht.
J.Biol.Chem., 283, 2008
5I80
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BU of 5i80 by Molmil
BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4501 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
6UVO
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BU of 6uvo by Molmil
Structure of antibody 3G12 bound to the central conserved domain of RSV G
分子名称: 3G12 Fab Heavy chain, 3G12 Fab light chain, Major surface glycoprotein G
著者Fedechkin, S.O, George, N.L, Nunez Castrejon, A.M, Dillen, J, Kauvar, L.M, DuBois, R.M.
登録日2019-11-03
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformational Flexibility in Respiratory Syncytial Virus G Neutralizing Epitopes.
J.Virol., 94, 2020
5IKU
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BU of 5iku by Molmil
Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution
分子名称: CALCIUM ION, Collagenase
著者Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O.
登録日2016-03-03
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation.
Febs J., 285, 2018
5IDZ
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BU of 5idz by Molmil
Structure of Human Enolase 2 in complex with (S)-(1-hydroxy-2-oxopiperidin-3-yl)phosphonate
分子名称: Gamma-enolase, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
著者Leonard, P.G, Muller, F.L.
登録日2016-02-24
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
To Be Published
6UP0
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BU of 6up0 by Molmil
Structure of the Mango-III fluorescent aptamer bound to YO3-Biotin
分子名称: MAGNESIUM ION, Mango-III fluorescent aptamer, POTASSIUM ION, ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2019-10-16
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
1GY8
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Trypanosoma brucei UDP-galactose 4' epimerase
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE 4-EPIMERASE, URIDINE-5'-DIPHOSPHATE
著者Shaw, M.P, Bond, C.S, Hunter, W.N.
登録日2002-04-21
公開日2003-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Resolution Crystal Structure of Trypanosoma Brucei Udp-Galactose 4'-Epimerase: A Potential Target for Structure-Based Development of Novel Trypanocides
Mol.Biochem.Parasitol., 126, 2003
2V5V
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BU of 2v5v by Molmil
W57E Flavodoxin from Anabaena
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, MAGNESIUM ION
著者Herguedas, B, Martinez-Julvez, M, Perez-Dorado, I, Goni, G, Medina, M, Hermoso, J.A.
登録日2007-07-10
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin.
Arch.Biochem.Biophys., 467, 2007
5I6V
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BU of 5i6v by Molmil
Structure of F285S, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Xu, X, Blacklow, S.C.
登録日2016-02-16
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016

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