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8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
分子名称: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
登録日2020-04-06
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
1QMR
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BU of 1qmr by Molmil
BIRCH POLLEN ALLERGEN BET V 1 MUTANT N28T, K32Q, E45S, P108G
分子名称: MAJOR POLLEN ALLERGEN BET V 1-A
著者Henriksen, A, Holm, J.O, Spangfort, M.D, Gajhede, M.
登録日1999-10-06
公開日2000-10-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Allergy vaccine engineering: epitope modulation of recombinant Bet v 1 reduces IgE binding but retains protein folding pattern for induction of protective blocking-antibody responses.
J Immunol., 173, 2004
6NPO
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BU of 6npo by Molmil
Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
分子名称: Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ...
著者Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-18
公開日2019-02-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
To Be Published
3O1Y
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BU of 3o1y by Molmil
Electron transfer complexes: Experimental mapping of the redox-dependent cytochrome c electrostatic surface
分子名称: Cytochrome c, HEME C, NITRATE ION
著者De March, M, De Zorzi, R, Demitri, N, Gabbiani, C, Guerri, A, Casini, A, Messori, L, Geremia, S.
登録日2010-07-22
公開日2012-01-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition.
J. Inorg. Biochem., 135, 2014
6NAZ
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BU of 6naz by Molmil
Crystal structure of DIRAS 2/3 chimera in complex with GDP
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GTP-binding protein Di-Ras2,GTP-binding protein Di-Ras3,GTP-binding protein Di-Ras2, ...
著者Gilbert, Y.H, Reger, A, Sharma, R, Bast, J, Kim, C.
登録日2018-12-06
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.081 Å)
主引用文献Crystal structure of DIRAS 2/3 chimera in complex with GDP
To Be Published
6NB3
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BU of 6nb3 by Molmil
MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1)
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, LCA60 heavy chain, ...
著者Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-02-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
8GMO
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BU of 8gmo by Molmil
Bacteriophage T4 capsid shell containing 9DE insertions into the gp23* major capsid protein subunits
分子名称: Mature capsid vertex protein, Mature major capsid protein
著者Fokine, A, Rao, V.B.
登録日2023-03-26
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Design of bacteriophage T4-based artificial viral vectors for human genome remodeling.
Nat Commun, 14, 2023
6YM3
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BU of 6ym3 by Molmil
Crystal structure of Compound 1 with PIP4K2A
分子名称: (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
5MBG
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BU of 5mbg by Molmil
Structure of a bacterial light-regulated adenylyl cyclase
分子名称: Beta subunit of photoactivated adenylyl cyclase, IODIDE ION
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
6YM4
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BU of 6ym4 by Molmil
Crystal structure of BAY-297 with PIP4K2A
分子名称: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
3NRU
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BU of 3nru by Molmil
Ligand binding domain of EPHA7
分子名称: CHLORIDE ION, Ephrin receptor, SULFATE ION
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
登録日2010-06-30
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ephrin A7 ligand binding domain
To be Published
1Q6D
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BU of 1q6d by Molmil
Crystal structure of Soybean Beta-Amylase Mutant (M51T) with Increased pH Optimum
分子名称: SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Hirata, A, Adachi, M, Sekine, A, Kang, Y.N, Utsumi, S, Mikami, B.
登録日2003-08-13
公開日2004-02-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
J.Biol.Chem., 279, 2004
1L8N
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BU of 1l8n by Molmil
The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose
分子名称: 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ...
著者Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
登録日2002-03-21
公開日2003-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
6NET
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BU of 6net by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus substrate complex
分子名称: 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NF3
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BU of 6nf3 by Molmil
Structure of the Monoclinic-3 (Monocln-3) Crystal Form of Human Apolipoprotein C1
分子名称: Apolipoprotein C-I
著者McPherson, A, Larson, S.B.
登録日2018-12-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
6YPW
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BU of 6ypw by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
分子名称: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
分子名称: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-05-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
6NDQ
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BU of 6ndq by Molmil
Crystal structure of a LPMO from Kitasatospora papulosa
分子名称: lytic polysaccharide monooxygenase
著者Correa, T.L.C, Tomazini Jr, A, Murakami, M.T.
登録日2018-12-14
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structure of a LPMO from Kitasatospora papulosa
To Be Published
8GFA
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BU of 8gfa by Molmil
Cryo-EM structure of human TRPV1 in complex with the analgesic drug SB-366791
分子名称: (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
6NIO
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BU of 6nio by Molmil
Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ACETIC ACID, FORMIC ACID, ...
著者Kim, Y, Joachimiak, G, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-31
公開日2019-01-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis
To Be Published
6NJX
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BU of 6njx by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with mercury
分子名称: IODIDE ION, MERCURY (II) ION, Xcc_ctr_Hg
著者Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
登録日2019-01-04
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
8G2W
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BU of 8g2w by Molmil
Cryo-EM structure of 3DVA component 2 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
分子名称: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
登録日2023-02-06
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
1LTZ
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BU of 1ltz by Molmil
CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM PHENYLALANINE HYDROXYLASE, STRUCTURE HAS BOUND IRON (III) AND OXIDIZED COFACTOR 7,8-DIHYDROBIOPTERIN
分子名称: 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ...
著者Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C.
登録日2002-05-21
公開日2002-07-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates.
J.Mol.Biol., 320, 2002
1KYT
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BU of 1kyt by Molmil
Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
分子名称: CALCIUM ION, hypothetical protein TA0175
著者Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG)
登録日2002-02-05
公開日2003-01-21
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
To be published

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