7FZ9
 
 | | Crystal Structure of human FABP4 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine | | 分子名称: | (3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
|
|
7G1H
 | | Crystal Structure of human FABP4 in complex with 2-(3,5-ditert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid | | 分子名称: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Masciadri, R, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
|
|
7D12
 | | NMR solution structures of CAG RNA-DB213 binding complex | | 分子名称: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*CP*AP*GP*C)-3'), SODIUM ION | | 著者 | Chan, H.Y.E, Guo, P. | | 登録日 | 2020-09-12 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | CAG RNAs induce DNA damage and apoptosis by silencing NUDT16 expression in polyglutamine degeneration.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7FQI
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
|
|
7FQH
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-[4-(cyclopropylmethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | | 著者 | Ehler, A, Benz, J, Bartels, B, Hewings-David, S, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
|
|
4DZY
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP | | 分子名称: | (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | 登録日 | 2012-03-01 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7DHO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | | 分子名称: | 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
|
|
4CRC
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
|
|
4CRD
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
|
|
7DYD
 | |
4DG4
 | | Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) | | 分子名称: | CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor, ... | | 著者 | Salameh, M.A, Soares, A.S, Radisky, E.S. | | 登録日 | 2012-01-24 | | 公開日 | 2012-09-12 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Presence versus absence of hydrogen bond donor Tyr-39 influences interactions of cationic trypsin and mesotrypsin with protein protease inhibitors.
Protein Sci., 21, 2012
|
|
4DBK
 | | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine | | 分子名称: | BERBERINE, CALCIUM ION, Phospholipase A2, ... | | 著者 | Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M. | | 登録日 | 2012-01-16 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
|
|
7F3X
 | | Lysophospholipid acyltransferase LPCAT3 in complex with lysophosphatidylcholine | | 分子名称: | LPCAT3, [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM | | 著者 | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | | 登録日 | 2021-06-17 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | | 主引用文献 | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
|
|
4BCP
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2012-10-02 | | 公開日 | 2013-04-17 | | 最終更新日 | 2013-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
|
|
4EST
 | | CRYSTAL STRUCTURE OF THE COVALENT COMPLEX FORMED BY A PEPTIDYL ALPHA,ALPHA-DIFLUORO-BETA-KETO AMIDE WITH PORCINE PANCREATIC ELASTASE AT 1.78-ANGSTROMS RESOLUTION | | 分子名称: | CALCIUM ION, ELASTASE, INHIBITOR ACE-ALA-PRO-VAI-DIFLUORO-N-PHENYLETHYLACETAMIDE, ... | | 著者 | Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F, Trainor, D.A. | | 登録日 | 1989-05-15 | | 公開日 | 1992-04-15 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal Structure of the Covalent Complex Formed by a Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution
J.Am.Chem.Soc., 111, 1989
|
|
4EIE
 | | Crystal structure of cytochrome c6C from Synechococcus sp. PCC 7002 | | 分子名称: | CHLORIDE ION, Cytochrome c6, HEME C, ... | | 著者 | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | 登録日 | 2012-04-05 | | 公開日 | 2013-04-10 | | 最終更新日 | 2021-03-10 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
|
|
4EID
 | | Crystal structure of cytochrome c6 Q57V mutant from Synechococcus sp. PCC 7002 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C | | 著者 | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | 登録日 | 2012-04-05 | | 公開日 | 2013-04-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
|
|
7FWD
 | | Crystal Structure of human FABP4 in complex with 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid | | 分子名称: | 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid, Fatty acid-binding protein, adipocyte, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
|
|
4EIC
 | |
7FQJ
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 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 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
|
|
7FQK
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-yn-3-yl]-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
|
|
7FQL
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 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, Legumain, ... | | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
|
|
7DUB
 | |
7DXJ
 | |
7DXK
 | |
