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6OSU
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BU of 6osu by Molmil
Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase (Penicillin binding protein) family protein
著者Kim, Y, Stogios, P, Skarina, T, Di, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-02
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
To Be Published
6EI4
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BU of 6ei4 by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site
分子名称: COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
著者Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
登録日2017-09-17
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
5SJ7
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BU of 5sj7 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 7-[(5-methyl-4-propan-2-yloxypyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole
分子名称: 7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
2WSO
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BU of 2wso by Molmil
Structure of Cerulean Fluorescent Protein at physiological pH
分子名称: GREEN FLUORESCENT PROTEIN
著者Lelimousin, M, Noirclerc-Savoye, M, Lazareno-Saez, C, Paetzold, B, Le Vot, S, Chazal, R, Macheboeuf, P, Field, M.J, Bourgeois, D, Royant, A.
登録日2009-09-08
公開日2009-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Intrinsic Dynamics in Ecfp and Cerulean Control Fluorescence Quantum Yield.
Biochemistry, 48, 2009
6OTI
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BU of 6oti by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
3T8D
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BU of 3t8d by Molmil
Thermolysin In Complex With UBTLN31
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Thermolysin Inhibition
To be Published
5SH1
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BU of 5sh1 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5-methyl-2-phenyl-4-(2-quinolin-8-yloxyethyl)-1,3-oxazole
分子名称: 8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Binggeli, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
6OTM
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BU of 6otm by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB10-586B
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6OTP
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BU of 6otp by Molmil
Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB10-586B
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
3TED
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BU of 3ted by Molmil
Crystal structure of the Chd1 DNA-binding domain in complex with a DNA duplex
分子名称: 5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*G)-3', Chromo domain-containing protein 1
著者Sharma, A, Jenkins, K.R, Heroux, A, Bowman, G.D.
登録日2011-08-12
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA-binding domain of Chd1 in complex with a DNA duplex
J.Biol.Chem., 2011
6OUI
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BU of 6oui by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-710A
分子名称: 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB11-710A
To Be Published
6OVE
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BU of 6ove by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-propylphenyl-ACEPC
分子名称: (3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
著者Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B.
登録日2019-05-07
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
To Be Published
1INX
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BU of 1inx by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
分子名称: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
登録日1994-09-26
公開日1995-02-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
3TGK
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BU of 3tgk by Molmil
TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
分子名称: CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ...
著者Pasternak, A, White, A, Jeffery, C.J, Medina, N, Cahoon, M, Ringe, D, Hedstrom, L.
登録日1998-07-19
公開日2001-07-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
6OCL
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BU of 6ocl by Molmil
Crystal Structure of Leporine Serum Albumin in Complex with Suprofen
分子名称: (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid, ACETATE ION, Serum albumin, ...
著者Zielinski, K, Sekula, B, Bujacz, A, Bujacz, G.
登録日2019-03-24
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
6OXT
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BU of 6oxt by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-84
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY0
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BU of 6oy0 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-21
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6ON1
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BU of 6on1 by Molmil
A resting state structure of L-DOPA dioxygenase from Streptomyces sclerotialus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, L-DOPA dioxygenase
著者Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A.
登録日2019-04-19
公開日2019-06-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
3EHH
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BU of 3ehh by Molmil
Crystal structure of DesKC-H188V in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor kinase (YocF protein)
著者Albanesi, D, Alzari, P.M, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
5SKU
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BU of 5sku by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3-[4-[2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]naphthalen-1-yl]-2-methoxypropanoic acid
分子名称: (2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Binggeli, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
6ENW
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BU of 6enw by Molmil
X-ray structure of Auoxo4-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Ferraro, G, Merlino, A.
登録日2017-10-06
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ferritin nanocages loaded with gold ions induce oxidative stress and apoptosis in MCF-7 human breast cancer cells.
Dalton Trans, 46, 2017
3EN3
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BU of 3en3 by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4,Glutamate receptor
著者Gill, A, Madden, D.R.
登録日2008-09-25
公開日2009-05-19
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
1OMH
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BU of 1omh by Molmil
Conjugative Relaxase TrwC in complex with OriT Dna. Metal-free structure.
分子名称: DNA OLIGONUCLEOTIDE, SULFATE ION, trwC protein
著者Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M.
登録日2003-02-25
公開日2003-11-25
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Recognition and processing of the origin of transfer DNA by conjugative relaxase TrwC.
Nat.Struct.Biol., 10, 2003
5SHU
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BU of 5shu by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3,5,6,7-tetrahydropyrrolo[3,2-f]benzimidazole
分子名称: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published

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件を2024-07-17に公開中

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