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PDB: 27265 件

6UI9
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Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
分子名称: ACETYL COENZYME *A, ACLY, OXALOACETATE ION
著者Wei, X, Marmorstein, R.
登録日2019-09-30
公開日2019-12-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis for acetyl-CoA production by ATP-citrate lyase
Nat.Struct.Mol.Biol., 27, 2020
6UM2
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Structure of M-6-P/IGFII Receptor and IGFII complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, Insulin-like growth factor II
著者Wang, R, Qi, X, Li, X.
登録日2019-10-08
公開日2020-02-26
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments
Sci Adv, 6, 2020
6OUM
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Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B
分子名称: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
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 (1.559 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-580B
To Be Published
6VXS
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Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-24
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6O5L
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Crystal structure of PprA filament from Deinococcus peraridilitoris
分子名称: PprA
著者Szabla, R, Junop, M.S, Rok, M.
登録日2019-03-04
公開日2019-03-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of PprA filament from Deinococcus peraridilitoris
To Be Published
6OEZ
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BU of 6oez by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
7R1Y
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BU of 7r1y by Molmil
cryoEM structure of human Nup155 (residues 19-981)
分子名称: Nuclear pore complex protein Nup155
著者Taniguchi, R, Beck, M.
登録日2022-02-03
公開日2022-06-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
7RNY
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Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7RNZ
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Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7R5K
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BU of 7r5k by Molmil
Human nuclear pore complex (constricted)
分子名称: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
著者Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
登録日2022-02-10
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
6W2T
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BU of 6w2t by Molmil
Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2)
分子名称: 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ...
著者Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S.
登録日2020-03-08
公開日2020-04-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
7RK6
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BU of 7rk6 by Molmil
Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-22
公開日2022-06-22
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 0 mM Ba2+ at 2.91 A
To Be Published
7RJT
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Aplysia Slo1 with Barium
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ...
著者Zhu, J, Srivastava, S, Cachau, R, Holmgren, M.
登録日2021-07-21
公開日2022-06-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献CryoEM structure of Aplysia Slo1 with 10 mM Ba2+ at 2.93 A
To Be Published
6OL2
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BU of 6ol2 by Molmil
Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening
分子名称: ACETATE ION, GLYCEROL, N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide, ...
著者Chlebowicz, J, Akella, R, Sekulski, K, Humphreys, J.M, Durbacz, M.Z, He, H, Rodan, A, Posner, B, Goldsmith, E.J.
登録日2019-04-15
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallography of novel WNK1 and WNK3 inhibitors discovered from high throughput screening
To Be Published
7RRE
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BU of 7rre by Molmil
Carbonic Anhydrase II in complex with Beta-Galactose-2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ...
著者McKenna, R, Combs, J.E.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
6OJH
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BU of 6ojh by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
分子名称: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ...
著者Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
登録日2019-04-11
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
To Be Published
6W1W
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BU of 6w1w by Molmil
Crystal Structure of Motility Associated Killing Factor B from Vibrio cholerae
分子名称: 1,2-ETHANEDIOL, motility-associated killing factor MakB
著者Kim, Y, Welk, L, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-04
公開日2020-03-25
最終更新日2022-07-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
2PNU
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BU of 2pnu by Molmil
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
分子名称: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
登録日2007-04-25
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
6W19
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Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H.
登録日2020-03-03
公開日2020-07-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
6ORV
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BU of 6orv by Molmil
Non-peptide agonist (TT-OAD2) bound to the Glucagon-Like peptide-1 (GLP-1) Receptor
分子名称: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Belousoff, M.J, Liang, Y.L, Danev, R.
登録日2019-05-01
公開日2020-01-08
最終更新日2020-01-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Activation of the GLP-1 receptor by a non-peptidic agonist.
Nature, 577, 2020
6W61
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Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2.
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, CHLORIDE ION, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-15
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
Biorxiv, 2020
7RRF
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BU of 7rrf by Molmil
Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, McKenna, R.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
6QL4
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BU of 6ql4 by Molmil
Crystal structure of nucleotide-free Mgm1
分子名称: 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein
著者Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O.
登録日2019-01-31
公開日2019-07-03
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6PS5
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BU of 6ps5 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS2
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XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019

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件を2024-08-14に公開中

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