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6R5I
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BU of 6r5i by Molmil
The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
分子名称: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
著者Read, J.A.
登録日2019-04-05
公開日2019-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6RA5
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BU of 6ra5 by Molmil
Human tnik in complex with compound 9
分子名称: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
著者Read, J.A.
登録日2019-04-05
公開日2020-05-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6QU9
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BU of 6qu9 by Molmil
Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin
分子名称: FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ...
著者Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A.
登録日2019-02-26
公開日2020-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis for Z alpha 1 -antitrypsin polymerization in the liver.
Sci Adv, 6, 2020
6QZL
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BU of 6qzl by Molmil
Structure of the H1 domain of human KCTD12
分子名称: BTB/POZ domain-containing protein KCTD12
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2019-03-11
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the H1 domain of human KCTD12
To be published
6QNV
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BU of 6qnv by Molmil
Fibrinogen-like globe domain of Human Tenascin-C
分子名称: Tenascin
著者Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2019-02-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
6SSB
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BU of 6ssb by Molmil
syk in complex with compound 30
分子名称: Tyrosine-protein kinase SYK, ~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
著者Read, J.A.
登録日2019-09-06
公開日2020-09-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of a Series of Potent, Selective and Orally Bioavailable SYK Inhibitors
To Be Published
6SVS
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BU of 6svs by Molmil
Crystal Structure of U:A-U-rich RNA triple helix with 11 consecutive base triples
分子名称: ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE, CALCIUM ION, GLYCEROL, ...
著者Ruszkowska, A, Ruszkowski, M, Hulewicz, J.P, Dauter, Z, Brown, J.A.
登録日2019-09-18
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular structure of a U•A-U-rich RNA triple helix with 11 consecutive base triples.
Nucleic Acids Res., 48, 2020
2W11
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BU of 2w11 by Molmil
Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 2-HALOALKANOIC ACID DEHALOGENASE
著者Rye, C.A, Isupov, M.N, Lebedev, A.A, Littlechild, J.A.
登録日2008-10-13
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and Structural Studies of a L-Haloacid Dehalogenase from the Thermophilic Archaeon Sulfolobus Tokodaii.
Extremophiles, 13, 2009
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6SFB
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BU of 6sfb by Molmil
EED in complex with a triazolopyrimidine
分子名称: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Read, J.A.
登録日2019-08-01
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
4ZN9
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BU of 4zn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
分子名称: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.215 Å)
主引用文献Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
6R5O
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BU of 6r5o by Molmil
The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6SMA
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BU of 6sma by Molmil
Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-08-21
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6SXI
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BU of 6sxi by Molmil
Antibody-anti-idiotype complex: AP33 Fab (hepatitis C virus E2 antibody) - B2.1A scFv (anti-idiotype)
分子名称: Fab heavy chain, Fab light chain, GLYCEROL, ...
著者Taylor, G.L, Potter, J.A, Fadda, V, Patel, A.H, Owsianka, A.M, Cowtan, V.M.
登録日2019-09-26
公開日2020-10-07
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of a structural epitope mimic: an idiotypic approach to HCV vaccine design.
NPJ Vaccines, 6, 2021
6SG4
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BU of 6sg4 by Molmil
Structure of CDK2/cyclin A M246Q, S247EN
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A.
登録日2019-08-02
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
1MNG
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BU of 1mng by Molmil
STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS
分子名称: AZIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
著者Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L.
登録日1994-07-13
公開日1994-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
4P5J
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BU of 4p5j by Molmil
Crystal structure of the tRNA-like structure from Turnip Yellow Mosaic Virus (TYMV), a tRNA mimicking RNA
分子名称: IRIDIUM HEXAMMINE ION, MAGNESIUM ION, SPERMINE, ...
著者Colussi, T.M, Costantino, D.A, Hammond, J.A, Ruehle, G.M, Nix, J.C, Kieft, J.S.
登録日2014-03-17
公開日2014-06-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9912 Å)
主引用文献The structural basis of transfer RNA mimicry and conformational plasticity by a viral RNA.
Nature, 511, 2014
6SMB
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BU of 6smb by Molmil
Human jak1 kinase domain in complex with inhibitor
分子名称: Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
著者Read, J.A, Steuber, H.
登録日2019-08-21
公開日2020-04-29
最終更新日2020-05-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6QU1
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BU of 6qu1 by Molmil
Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain at 3.7 angstrom resolution.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta,Transcription intermediary factor 1-beta, ZINC ION
著者Newman, J.A, Aitkenhead, H, Gavard, A, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-02-26
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 2019
2VYU
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BU of 2vyu by Molmil
CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE IN THE PRESENCE OF A PEPTIDOGLYCAN ANALOGUE (TETRASACCHARIDE-PENTAPEPTIDE)
分子名称: CHOLINE BINDING PROTEIN F, CHOLINE ION
著者Perez-Dorado, I, Molina, R, Hermoso, J.A, Mobashery, S.
登録日2008-07-28
公開日2009-02-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae.
Embo Rep., 10, 2009
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
著者Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
登録日2019-05-13
公開日2019-07-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019

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