8HOI
 
 | | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
|
|
8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8HOG
 | | Crystal structure of Bcl-2 in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
|
|
1UJ1
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) | | Descriptor: | 3C-like proteinase | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-07-25 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1UK2
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0 | | Descriptor: | 3C-LIKE PROTEINASE | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1UK3
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6 | | Descriptor: | 3C-like proteinase | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1UK4
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor | | Descriptor: | 3C-like proteinase nsp5, 5-mer peptide of inhibitor | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
6XE6
 | | Structure of Human Dispatched-1 (DISP1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1 | | Authors: | Chen, H, Liu, Y, Li, X. | | Deposit date: | 2020-06-12 | | Release date: | 2020-07-08 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (4.54 Å) | | Cite: | Structure of human Dispatched-1 provides insights into Hedgehog ligand biogenesis.
Life Sci Alliance, 3, 2020
|
|
2OTP
 | | Crystal Structure of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2) | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily A member 2 | | Authors: | Gao, F, Peng, H, Chen, Y, Liu, Y, Gao, G.F. | | Deposit date: | 2007-02-08 | | Release date: | 2008-02-19 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of 3D Domain Swapped Dimer of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2), Molecular Insight into Group 1 Activating Receptor Forming Unique MW Interaction Pattern
To be Published
|
|
1UEF
 | | Crystal Structure of Dok1 PTB Domain Complex | | Descriptor: | 13-mer peptide from Proto-oncogene tyrosine-protein kinase receptor ret, Docking protein 1 | | Authors: | Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yan, J, Rao, Z. | | Deposit date: | 2003-05-14 | | Release date: | 2004-05-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.Biol.Chem., 279, 2004
|
|
7YOX
 | |
7YMU
 | | Structure of Alcohol dehydrogenase from [Candida] glabrata | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sun, Z.W, Liu, Y.F, Xu, G.C, Ni, Y. | | Deposit date: | 2022-07-29 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rationla design of CgADH from candida glarata for asymmetric reduction of azacycolne.
To Be Published
|
|
6LED
 | |
6LE2
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | | Deposit date: | 2019-11-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
|
|
7DPD
 | | Human MCM9 N-terminal domain | | Descriptor: | DNA helicase MCM9, SODIUM ION, ZINC ION | | Authors: | Li, J, Liu, L, Liu, Y. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
|
|
4W98
 | | Acinetobacter baumannii SDF NDK | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Hu, Y, Feng, F, Liang, H, Liu, Y. | | Deposit date: | 2014-08-27 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural and Functional Characterization of Acinetobacter baumannii Nucleoside Diphosphate Kinase
Prog.Biochem.Biophys., 42, 2015
|
|
7DP3
 | | Human MCM8 N-terminal domain | | Descriptor: | DNA helicase MCM8, ZINC ION | | Authors: | Li, J, Liu, L, Liu, Y. | | Deposit date: | 2020-12-17 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
|
|
6M4Q
 | | Cytochrome P450 monooxygenase StvP2 substrate-free structure | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
|
|
4R5Y
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | Deposit date: | 2014-08-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
|
|
6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
|
|
4WY9
 | |
1M63
 | | Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes | | Descriptor: | CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CYCLOSPORIN A, ... | | Authors: | Huai, Q, Kim, H.-Y, Liu, Y, Zhao, Y, Mondragon, A, Liu, J.O, Ke, H. | | Deposit date: | 2002-07-12 | | Release date: | 2002-09-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
7DQO
 | | Marsupenaeus japonicus ferritin mutant-D132R | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
|
|
7DQP
 | | Thermal treated Marsupenaeus japonicus ferritin | | Descriptor: | Ferritin | | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
|
|
