7ZO8
 
 | | cryo-EM structure of CGT ABC transporter in nanodisc apo state | | 分子名称: | Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, DIUNDECYL PHOSPHATIDYL CHOLINE | | 著者 | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | | 登録日 | 2022-04-24 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
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7ZO9
 | | cryo-EM structure of CGT ABC transporter in vanadate trapped state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION | | 著者 | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | | 登録日 | 2022-04-24 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
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7ZNU
 | | cryo-EM structure of CGT ABC transporter in detergent micelle | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION | | 著者 | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | | 登録日 | 2022-04-22 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Nat.Struct.Mol.Biol., 29, 2022
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8CBL
 | | Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser) | | 分子名称: | 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C. | | 登録日 | 2023-01-25 | | 公開日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
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5COY
 | | Crystal structure of CC chemokine 5 (CCL5) | | 分子名称: | C-C motif chemokine 5, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | 著者 | Liang, W.G, Tang, W. | | 登録日 | 2015-07-20 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.443 Å) | | 主引用文献 | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8A1R
 | | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | 著者 | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo.
Nat Commun, 14, 2023
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6Q3X
 | | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | 著者 | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-04 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5COX
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2C4U
 | | Crystal structure of the apo form of the 5'-Fluoro-5'-deoxyadenosine synthase enzyme from Streptomyces cattleya | | 分子名称: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, GLYCEROL | | 著者 | McEwan, A.R, Deng, H, Robinson, D.A, DeLaurentis, W, McGlinchey, R.P, O'Hagan, D, Naismith, J.H. | | 登録日 | 2005-10-22 | | 公開日 | 2006-04-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
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8CZZ
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | | 分子名称: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 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 | Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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5DEW
 | | Crystal structure of PAK1 in complex with an inhibitor compound 5 | | 分子名称: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | 著者 | Oh, A, Tam, C, Wang, W. | | 登録日 | 2015-08-26 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety
To Be Published
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8AQF
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | | 分子名称: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | | 著者 | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | | 登録日 | 2022-08-12 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
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8AYT
 | | Crystal structure of SUDV VP40 W95A mutant | | 分子名称: | Matrix protein VP40 | | 著者 | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | | 登録日 | 2022-09-03 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of SUDV VP40 W95A mutant
To Be Published
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8AYU
 | | Crystal structure of SUDV VP40 L117A mutant | | 分子名称: | Matrix protein VP40 | | 著者 | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | | 登録日 | 2022-09-03 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of SUDV VP40 L117A mutant
To Be Published
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5DK3
 | | Crystal Structure of Pembrolizumab, a full length IgG4 antibody | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, ... | | 著者 | Scapin, G, Prosise, W, Reichert, P. | | 登録日 | 2015-09-02 | | 公開日 | 2015-11-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab.
Nat.Struct.Mol.Biol., 22, 2015
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6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | 分子名称: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | 著者 | Hong, W, Chen, H, Wu, Q, Lin, T. | | 登録日 | 2019-09-23 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (4.45 Å) | | 主引用文献 | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5DNF
 | | Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, C-C motif chemokine 5, ... | | 著者 | Liang, W.G, Tang, W. | | 登録日 | 2015-09-10 | | 公開日 | 2016-04-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.549 Å) | | 主引用文献 | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DYL
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | | 分子名称: | cGMP-dependent protein kinase, putative | | 著者 | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-24 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | 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, Spike glycoprotein, ... | | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | 登録日 | 2022-05-08 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | | 主引用文献 | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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5DYK
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | | 分子名称: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | | 著者 | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-24 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8DOK
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | 登録日 | 2022-07-13 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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2DO3
 | | Solution structure of the third KOW motif of transcription elongation factor SPT5 | | 分子名称: | Transcription elongation factor SPT5 | | 著者 | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-04-27 | | 公開日 | 2006-10-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the third KOW motif of transcription elongation factor SPT5
To be Published
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6R38
 | | T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid | | 分子名称: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-19 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
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5E8R
 | | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | | 分子名称: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | | 著者 | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-10-14 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
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