5SHC
 
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ncncc1NC(C4=CC=CN(CCc2c(oc(n2)c3ccccc3)C)C4=O)=O, micromolar IC50=1.1253625 | | 分子名称: | 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
|
|
7X79
 | | The crystal structure of human Calpain-1 protease core in complex with 14b | | 分子名称: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | 著者 | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | 登録日 | 2022-03-09 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
|
|
4JJR
 | |
1UDB
 | |
4OGY
 | | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ... | | 著者 | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | | 登録日 | 2014-01-16 | | 公開日 | 2014-07-09 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
|
|
3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | 分子名称: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | 登録日 | 2012-11-14 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
|
|
1UDC
 | |
4AUK
 | | Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M. | | 登録日 | 2012-05-18 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
|
|
1UDA
 | |
6LGD
 | | Bombyx mori GH13 sucrose hydrolase complexed with 1,4-dideoxy-1,4-imino-D-arabinitol | | 分子名称: | 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Miyazaki, T. | | 登録日 | 2019-12-05 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases.
J.Biol.Chem., 295, 2020
|
|
135L
 | |
6FAZ
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution. | | 分子名称: | 1,2-ETHANEDIOL, 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, ... | | 著者 | Nielsen, L, Laulumaa, S, Kastrup, J.S. | | 登録日 | 2017-12-18 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.
J. Med. Chem., 61, 2018
|
|
5DSY
 | | Crystal structure of constitutively active PARP-2 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 2 | | 著者 | Riccio, A.A, Pascal, J.M. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
|
|
1AGY
 | |
4OYP
 | | Human solAC Complexed with 1-Benzofuran-2-carboxylic acid | | 分子名称: | 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION | | 著者 | Vinkovic, M. | | 登録日 | 2014-02-12 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
|
|
4AZH
 | | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | | 分子名称: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, N-acetylglucosaminono-1,5-lactone (Z)-oxime | | 著者 | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | | 登録日 | 2012-06-26 | | 公開日 | 2013-07-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
|
|
6A8H
 | |
1M0O
 | | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-methylpropanephosphonate | | 分子名称: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID, 2,2-Dialkylglycine decarboxylase, POTASSIUM ION, ... | | 著者 | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | 登録日 | 2002-06-13 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
|
|
4JG8
 | | Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide | | 分子名称: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-3 | | 著者 | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | | 登録日 | 2013-02-28 | | 公開日 | 2013-04-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.1002 Å) | | 主引用文献 | Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
|
|
4ZO7
 | | Crystal structure of mutant (D270A) beta-glucosidase from Listeria innocua in complex with gentiobiose | | 分子名称: | GLYCEROL, Lin1840 protein, MAGNESIUM ION, ... | | 著者 | Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H. | | 登録日 | 2015-05-06 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
|
|
3QV8
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid. | | 分子名称: | 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
|
|
1M4N
 | | CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH [2-(AMINO-OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM | | 分子名称: | (2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM, 1-aminocyclopropane-1-carboxylate synthase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Capitani, G, Eliot, A.C, Gut, H, Khomutov, R.M, Kirsch, J.F, Grutter, M.G. | | 登録日 | 2002-07-03 | | 公開日 | 2003-04-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure of 1-aminocyclopropane-1-carboxylate synthase in complex with an amino-oxy analogue of the substrate: implications for substrate binding.
BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
|
|
3CQA
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala | | 分子名称: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | 著者 | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | 登録日 | 2008-04-02 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
|
|
9I5O
 | | Recombinant human butyrylcholinesterase in complex with 1-(cyclohexylmethyl)-5-(2,4-difluorobenzyl)-N-(2-(dimethylamino)ethyl)-1H-indazole-6-carboxamide | | 分子名称: | 1-(cyclohexylmethyl)-5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Ferjancic Benetik, S, Knez, D, Proj, M, Gobec, S, Nachon, F. | | 登録日 | 2025-01-28 | | 公開日 | 2025-08-20 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Targeting Neuroinflammation and Cognitive Decline: First-in-Class Dual Butyrylcholinesterase and p38 alpha Mitogen-Activated Protein Kinase Inhibitors.
J.Med.Chem., 68, 2025
|
|
5WDX
 | |
