6GL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gl8 by Molmil](/molmil-images/mine/6gl8) | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | 分子名称: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | 著者 | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | 登録日 | 2018-05-23 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget, 9, 2018
|
|
3K3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | 分子名称: | FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
|
|
6GT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gt3 by Molmil](/molmil-images/mine/6gt3) | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | 登録日 | 2018-06-15 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity J Immunother Cancer, 2020
|
|
1MRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mri by Molmil](/molmil-images/mine/1mri) | STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS | 分子名称: | ALPHA-MOMORCHARIN | 著者 | Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y. | 登録日 | 1994-07-01 | 公開日 | 1995-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins. Biochem.J., 309, 1995
|
|
3K3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3o by Molmil](/molmil-images/mine/3k3o) | Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
|
|
2R9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | 分子名称: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | 著者 | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | 登録日 | 2007-09-13 | 公開日 | 2007-12-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
|
|
2R9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9n by Molmil](/molmil-images/mine/2r9n) | Cathepsin S complexed with Compound 26 | 分子名称: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | 著者 | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | 登録日 | 2007-09-13 | 公開日 | 2007-12-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
|
|
3GO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3go7 by Molmil](/molmil-images/mine/3go7) | Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose | 分子名称: | MAGNESIUM ION, RIBOKINASE RBSK, alpha-D-ribofuranose | 著者 | Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R. | 登録日 | 2009-03-18 | 公開日 | 2010-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436) To be Published
|
|
4WGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wgi by Molmil](/molmil-images/mine/4wgi) | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | 分子名称: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | 登録日 | 2014-09-18 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). Acs Med.Chem.Lett., 5, 2014
|
|
4WHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4whg by Molmil](/molmil-images/mine/4whg) | Crystal Structure of TR3 LBD in complex with Molecule 3 | 分子名称: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | 登録日 | 2014-09-22 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
|
|
8JDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jdh by Molmil](/molmil-images/mine/8jdh) | |
8JDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jdi by Molmil](/molmil-images/mine/8jdi) | |
3GO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3go6 by Molmil](/molmil-images/mine/3go6) | Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose and AMP-PNP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RIBOKINASE RBSK, ... | 著者 | Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R. | 登録日 | 2009-03-18 | 公開日 | 2010-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436) To be Published
|
|
1MS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | 登録日 | 2002-09-19 | 公開日 | 2003-04-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
|
|
3HHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhs by Molmil](/molmil-images/mine/3hhs) | Crystal Structure of Manduca sexta prophenoloxidase | 分子名称: | COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2 | 著者 | Li, Y, Wang, Y, Jiang, H, Deng, J. | 登録日 | 2009-05-17 | 公開日 | 2009-09-29 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
5G06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g06 by Molmil](/molmil-images/mine/5g06) | Cryo-EM structure of yeast cytoplasmic exosome | 分子名称: | EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ... | 著者 | Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W. | 登録日 | 2016-03-17 | 公開日 | 2016-06-15 | 最終更新日 | 2017-08-02 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryoem Structure of Yeast Cytoplasmic Exosome Complex. Cell Res., 26, 2016
|
|
1D4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d4n by Molmil](/molmil-images/mine/1d4n) | HUMAN SERUM TRANSFERRIN | 分子名称: | CARBONATE ION, FE (III) ION, TRANSFERRIN | 著者 | Yang, H.-W, MacGillivray, R.T.A, Chen, J, Luo, Y, Wang, Y, Brayer, G.D, Mason, A, Woodworth, R.C, Murphy, M.E.P. | 登録日 | 1999-10-04 | 公開日 | 2000-03-01 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of two mutants (K206Q, H207E) of the N-lobe of human transferrin with increased affinity for iron. Protein Sci., 9, 2000
|
|
7TRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7trc by Molmil](/molmil-images/mine/7trc) | Human telomerase H/ACA RNP at 3.3 Angstrom | 分子名称: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... | 著者 | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | 登録日 | 2022-01-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of active human telomerase with telomere shelterin protein TPP1. Nature, 604, 2022
|
|
4WHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4whf by Molmil](/molmil-images/mine/4whf) | Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | 分子名称: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | 登録日 | 2014-09-22 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
|
|
5KJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-17 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
|
|
5KLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kll by Molmil](/molmil-images/mine/5kll) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D | 分子名称: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
|
|
7TRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7trd by Molmil](/molmil-images/mine/7trd) | Human telomerase catalytic core structure at 3.3 Angstrom | 分子名称: | Telomerase RNA, partial sequence, Telomerase reverse transcriptase, ... | 著者 | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | 登録日 | 2022-01-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of active human telomerase with telomere shelterin protein TPP1. Nature, 604, 2022
|
|
7TRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tre by Molmil](/molmil-images/mine/7tre) | Human telomerase catalytic core with shelterin protein TPP1 | 分子名称: | Adrenocortical dysplasia protein homolog, Telomerase RNA, partial sequence, ... | 著者 | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | 登録日 | 2022-01-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of active human telomerase with telomere shelterin protein TPP1. Nature, 604, 2022
|
|
7TRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7trf by Molmil](/molmil-images/mine/7trf) | Human telomerase catalytic core RNP with H2A/H2B | 分子名称: | Histone H2A, Histone H2B type 1-C/E/F/G/I, Telomerase RNA, ... | 著者 | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | 登録日 | 2022-01-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structure of active human telomerase with telomere shelterin protein TPP1. Nature, 604, 2022
|
|
1R7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r7j by Molmil](/molmil-images/mine/1r7j) | Crystal structure of the DNA-binding protein Sso10a from Sulfolobus solfataricus | 分子名称: | Conserved hypothetical protein Sso10a | 著者 | Chen, L, Chen, L.R, Zhou, X.E, Wang, Y, Kahsai, M.A, Clark, A.T, Edmondson, S.P, Liu, Z.-J, Rose, J.P, Wang, B.C, Shriver, J.W, Meehan, E.J, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2003-10-21 | 公開日 | 2004-07-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | The hyperthermophile protein Sso10a is a dimer of winged helix DNA-binding domains linked by an antiparallel coiled coil rod. J.Mol.Biol., 341, 2004
|
|