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6QUZ
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BU of 6quz by Molmil
Structure of ATPgS-bound outward-facing TM287/288 in complex with sybody Sb_TM35
分子名称: ABC transporter, ATP-binding protein, MAGNESIUM ION, ...
著者Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A.
登録日2019-03-01
公開日2019-05-29
最終更新日2019-06-05
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
3HH2
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BU of 3hh2 by Molmil
Crystal structure of the myostatin:follistatin 288 complex
分子名称: CITRIC ACID, Follistatin, Growth/differentiation factor 8, ...
著者Cash, J.N, Thompson, T.B.
登録日2009-05-14
公開日2009-08-04
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of myostatin:follistatin 288: insights into receptor utilization and heparin binding
Embo J., 28, 2009
3HIJ
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BU of 3hij by Molmil
Crystal structure of dihydrodipicolinate synthase from Bacillus anthracis in complex with its substrate, pyruvate
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SODIUM ION
著者Voss, J.E, Scally, S.W, Dobson, R.C.J, Perugini, M.A.
登録日2009-05-20
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate-mediated Stabilization of a Tetrameric Drug Target Reveals Achilles Heel in Anthrax.
J.Biol.Chem., 285, 2010
7R60
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BU of 7r60 by Molmil
BTK in complex with 18A
分子名称: 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
3HE0
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BU of 3he0 by Molmil
The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus.
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Cuff, M.E, Hendricks, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-05-07
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus.
TO BE PUBLISHED
7R61
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BU of 7r61 by Molmil
BTK in complex with 25A
分子名称: 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.
登録日2021-06-22
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
7MH7
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BU of 7mh7 by Molmil
crystal structure of NAD kinase from Pseudomonas aeruginosa PAO1
分子名称: NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chang, C, Evdokimova, E, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of NAD kinase from Pseudomonas aeruginosa
To Be Published
6QLW
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BU of 6qlw by Molmil
Cathepsin-K in complex with MIV-710
分子名称: CHLORIDE ION, Cathepsin K, SODIUM ION, ...
著者Derbyshire, D.J.
登録日2019-02-01
公開日2020-02-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
3HJ5
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BU of 3hj5 by Molmil
Human prion protein variant V129 domain swapped dimer
分子名称: Major prion protein
著者Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
登録日2009-05-20
公開日2010-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
7M6D
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BU of 7m6d by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
分子名称: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7RF6
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BU of 7rf6 by Molmil
RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF2
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BU of 7rf2 by Molmil
RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF8
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BU of 7rf8 by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
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, SARS2-38 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7RF7
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BU of 7rf7 by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF5
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BU of 7rf5 by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
登録日2021-07-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
2GDU
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BU of 2gdu by Molmil
E232Q mutant of sucrose phosphorylase from BIFIDOBACTERIUM ADOLESCENTIS in complex with sucrose
分子名称: beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, sucrose phosphorylase
著者Skov, L.K, Mirza, O, Gajhede, M, Kastrup, J.S.
登録日2006-03-17
公開日2006-09-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Rearrangements of Sucrose Phosphorylase from Bifidobacterium adolescentis during Sucrose Conversion
J.Biol.Chem., 281, 2006
2GFI
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BU of 2gfi by Molmil
Crystal structure of the phytase from D. castellii at 2.3 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, phytase
著者Hoh, F.
登録日2006-03-22
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of Debaryomyces castellii CBS 2923 phytase.
Acta Crystallogr.,Sect.F, 65, 2009
2GEC
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BU of 2gec by Molmil
Structure of the N-terminal domain of avian infectious bronchitis virus nucleocapsid protein (strain Gray) in a novel dimeric arrangement
分子名称: Nucleocapsid protein
著者Jayaram, H, Fan, H, Bowman, B.R, Ooi, A, Jayaram, J, Collisson, E.W, Lescar, J, Prasad, B.V.
登録日2006-03-19
公開日2006-06-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献X-ray structures of the N- and C-terminal domains of a coronavirus nucleocapsid protein: implications for nucleocapsid formation.
J.Virol., 80, 2006
2GDS
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BU of 2gds by Molmil
Interrupting the Hydrogen Bonding Network at the Active Site of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Perry, J.J.
登録日2006-03-16
公開日2006-03-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interrupting the Hydrogen Bond Network at the Active Site of Human Manganese Superoxide Dismutase
J.Biol.Chem., 274, 1999
2G5R
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BU of 2g5r by Molmil
Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ...
著者Attrill, H, Crocker, P.R, van Aalten, D.M.
登録日2006-02-23
公開日2006-06-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design.
Biochem.J., 397, 2006
2GH9
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BU of 2gh9 by Molmil
Thermus thermophilus maltotriose binding protein bound with maltotriose
分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose/maltodextrin-binding protein
著者Cuneo, M.J, Changela, A, Beese, L.S, Hellinga, H.W.
登録日2006-03-27
公開日2007-02-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural adaptations that modulate monosaccharide, disaccharide, and trisaccharide specificities in periplasmic maltose-binding proteins.
J.Mol.Biol., 389, 2009
6ZB9
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BU of 6zb9 by Molmil
Exo-beta-1,3-glucanase from moose rumen microbiome, wild type
分子名称: Exo-beta-1,3-glucanase
著者Kalyani, D.C, Reichenbach, T, Aspeborg, H, Divne, C.
登録日2020-06-08
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A homodimeric bacterial exo-beta-1,3-glucanase derived from moose rumen microbiome shows a structural framework similar to yeast exo-beta-1,3-glucanases.
Enzyme.Microb.Technol., 143, 2021
6ZCA
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BU of 6zca by Molmil
Structure of the B. subtilis RNA POLYMERASE in complex with HelD (monomer)
分子名称: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
登録日2020-06-10
公開日2020-10-14
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The delta subunit and NTPase HelD institute a two-pronged mechanism for RNA polymerase recycling.
Nat Commun, 11, 2020
6QBH
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Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33
分子名称: (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020

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