6SFC
 
 | | EED in complex with a methyl-thiazole | | 分子名称: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 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 (2 Å) | | 主引用文献 | Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
|
|
3OAW
 | |
4H58
 | | BRAF in complex with compound 3 | | 分子名称: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | | 著者 | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | | 登録日 | 2012-09-18 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
|
|
7S8L
 | | CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | 分子名称: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
|
|
7S8N
 | | CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
|
|
7S8O
 | | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
|
|
6SFB
 | | 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
|
|
7S8P
 | | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | | 分子名称: | Gs-mini-Gq chimera, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
|
|
7S8M
 | | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | 分子名称: | Cortistatin 14, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | 登録日 | 2021-09-18 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | | 主引用文献 | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
|
|
6AKY
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | | 著者 | Zhu, Y, Zhao, Q, Wu, B. | | 登録日 | 2018-09-04 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
|
|
6UM5
 | | Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env | | 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)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F. | | 登録日 | 2019-10-09 | | 公開日 | 2019-12-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
|
|
6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | 分子名称: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | 著者 | Zhu, Y, Zhao, Q, Wu, B. | | 登録日 | 2018-09-04 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
|
|
3A1L
 | | Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | | 分子名称: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | | 登録日 | 2009-04-09 | | 公開日 | 2009-05-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules
J.Am.Chem.Soc., 131, 2009
|
|
5E6P
 | |
4DTK
 | | Novel and selective pan-PIM kinase inhibitor | | 分子名称: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | | 著者 | Ferguson, A.D. | | 登録日 | 2012-02-21 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
6LAU
 | | the wildtype SAM-VI riboswitch bound to SAH | | 分子名称: | CESIUM ION, GUANOSINE-5'-TRIPHOSPHATE, RNA (54-MER), ... | | 著者 | Ren, A, Sun, A. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.109 Å) | | 主引用文献 | SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
|
|
6LBS
 | | Crystal structure of yeast Stn1 | | 分子名称: | KLLA0C11825p | | 著者 | Ge, Y, Wu, Z, Wu, J, Lei, M. | | 登録日 | 2019-11-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6LJJ
 | | Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ... | | 著者 | Liang, R, Peng, G.Q. | | 登録日 | 2019-12-16 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
|
|
6LBR
 | | Crystal structure of yeast Cdc13 and ssDNA | | 分子名称: | KLLA0F20922p, Telomere single-strand DNA | | 著者 | Ge, Y, Wu, Z, Wu, J, Lei, M. | | 登録日 | 2019-11-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6LBT
 | | Crystal structure of yeast Cdc13 and Stn1 | | 分子名称: | GLYCEROL, KLLA0C11825p, KLLA0F20922p,KLLA0F20922p | | 著者 | Ge, Y, Wu, Z, Wu, J, Lei, M. | | 登録日 | 2019-11-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6LBU
 | | Crystal structure of yeast Stn1 and Ten1 | | 分子名称: | KLLA0C11825p, KLLA0E09417p | | 著者 | Ge, Y, Wu, Z, Wu, J, Lei, M. | | 登録日 | 2019-11-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6LAX
 | | the mutant SAM-VI riboswitch (U6C) bound to SAM | | 分子名称: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | | 著者 | Sun, A, Ren, A. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
|
|
6LAZ
 | | the wildtype SAM-VI riboswitch bound to a N-mustard SAM analog M1 | | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate, MAGNESIUM ION, RNA (55-MER), ... | | 著者 | Ren, A, Sun, A. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
|
|
7SSA
 | |
6LAS
 | | the wildtype SAM-VI riboswitch bound to SAM | | 分子名称: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | | 著者 | Ren, A, Sun, A. | | 登録日 | 2019-11-13 | | 公開日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.708 Å) | | 主引用文献 | SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
|
|
