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7ZJM
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BU of 7zjm by Molmil
Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7
分子名称: Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ...
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ZHP
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BU of 7zhp by Molmil
Crystal structure of TTBK1 in complex with compound 9 (7-005)
分子名称: 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ...
著者Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-04-06
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7ZJK
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BU of 7zjk by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408
分子名称: CspZ
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
4CSH
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BU of 4csh by Molmil
Native structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Sanz-Gaitero, M, Keary, R, Garcia-Doval, C, Coffey, A, van Raaij, M.J.
登録日2014-03-07
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of the lytic CHAP(K) domain of the endolysin LysK from Staphylococcus aureus bacteriophage K.
Virol. J., 11, 2014
2JDM
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BU of 2jdm by Molmil
Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside
分子名称: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
著者Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M.
登録日2007-01-11
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
3ECR
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BU of 3ecr by Molmil
Structure of human porphobilinogen deaminase
分子名称: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
著者Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J.
登録日2008-09-01
公開日2008-09-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Structural insight into acute intermittent porphyria.
Faseb J., 23, 2009
5SKA
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BU of 5ska by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OCC)C)ncs4, micromolar IC50=0.151839
分子名称: 7-{[(4-ethoxy-5-methylpyridin-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2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
2D23
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BU of 2d23 by Molmil
Crystal structure of EP complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: AZIDE ION, ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
4CLM
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BU of 4clm by Molmil
Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative
分子名称: (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Maneiro, M, Lence, E, Poza, S, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-15
公開日2014-11-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.
Org. Biomol. Chem., 13, 2015
1PK4
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BU of 1pk4 by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN PLASMINOGEN KRINGLE 4 REFINED AT 1.9-ANGSTROMS RESOLUTION
分子名称: PLASMINOGEN KRINGLE 4, SULFATE ION
著者Tulinsky, A, Mulichak, A.M.
登録日1991-07-18
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal and molecular structure of human plasminogen kringle 4 refined at 1.9-A resolution.
Biochemistry, 30, 1991
3ERP
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BU of 3erp by Molmil
Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ...
著者Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-10-02
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl.Environ.Microbiol., 2017
2Z6X
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BU of 2z6x by Molmil
Crystal structure of 22G, the wild-type protein of the photoswitchable GFP-like protein Dronpa
分子名称: photochromic protein Dronpa
著者Kikuchi, A, Jeyakanthan, J, Taka, J, Shiro, Y, Mizuno, H, Miyawaki, A.
登録日2007-08-09
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Light-dependent regulation of structural flexibility in a photochromic fluorescent protein.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2D1Z
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BU of 2d1z by Molmil
Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
3EJ8
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BU of 3ej8 by Molmil
Structure of double mutant of human iNOS oxygenase domain with bound immidazole
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-09-17
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
5SJ1
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BU of 5sj1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)[S@@](Cc3ncc(c(c3C)OC(C)C)C)=O)ncs4, micromolar IC50=0.333158
分子名称: 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-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2024-10-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SG8
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BU of 5sg8 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1OCC)N)OCCCC, micromolar IC50=5.076956
分子名称: 5-butoxy-4-ethoxypyrimidin-2-amine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Gruessner, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
6R0C
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BU of 6r0c by Molmil
Human-D02 Nucleosome Core Particle with biotin-streptavidin label
分子名称: DNA (142-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ...
著者Pye, V.E, Wilson, M.D, Cherepanov, P, Costa, A.
登録日2019-03-12
公開日2019-09-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
2Z8S
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BU of 2z8s by Molmil
Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid
分子名称: CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
著者Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K.
登録日2007-09-10
公開日2007-10-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
2D20
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BU of 2d20 by Molmil
Crystal structure of michaelis complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, P-NITROPHENOL, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
8UX6
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BU of 8ux6 by Molmil
Structure of Fab201 with a T. parva sporozoite neutralizing B cell epitope of p67
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Singer, A.U, Gopalsamy, A, Fellouse, F.A, Miersch, S, Sidhu, S.S.
登録日2023-11-08
公開日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular characterization of a novel conformational sporozoite neutralizing B cell epitope in p67 of Theileria parva
To Be Published
2ZE4
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BU of 2ze4 by Molmil
Crystal structure of phospholipase D from streptomyces antibioticus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase D
著者Suzuki, A, Kakuno, K, Saito, R, Iwasaki, Y, Yamane, T, Yamane, T.
登録日2007-12-05
公開日2007-12-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of phospholipase D from streptomyces antibioticus
To be Published
5SJ7
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BU of 5sj7 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OC(C)C)C)ncs4, micromolar IC50=0.148637
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2024-10-16
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
6TPN
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BU of 6tpn by Molmil
Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution
分子名称: 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-13
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
5SJB
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BU of 5sjb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1cccn2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.026333
分子名称: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline, 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2024-10-16
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
3E6O
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BU of 3e6o by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C124355
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008

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