3KN0
 
 | | Structure of BACE bound to SCH708236 | | Descriptor: | 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Wang, Y. | | Deposit date: | 2009-11-11 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
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4NAC
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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | 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. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4WHF
 | | Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | 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. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4XKL
 | | Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin | | Descriptor: | ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | | Authors: | Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L. | | Deposit date: | 2015-01-12 | | Release date: | 2015-11-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
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6X2Q
 | | Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase | | Authors: | Qin, Z, Wang, Y. | | Deposit date: | 2020-05-20 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose
To Be Published
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2QDW
 | | Structure of Cu(I) form of the M51A mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (I) ION, PHOSPHATE ION | | Authors: | Ma, J.K, Wang, Y, Carrell, C.J, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2007-06-21 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin.
Biochemistry, 46, 2007
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2QTU
 | | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | | Descriptor: | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta | | Authors: | Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H. | | Deposit date: | 2007-08-02 | | Release date: | 2007-10-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 17, 2007
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6DX7
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8IL3
 | | Cryo-EM structure of CD38 in complex with FTL004 | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | | Authors: | Yang, J, Wang, Y, Zhang, G. | | Deposit date: | 2023-03-01 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
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6DXD
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6DXE
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6DX8
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6DD2
 | | Crystal structure of Selaginella moellendorffii HCT | | Descriptor: | Probable hydroxycinnamoyl transferase | | Authors: | Levsh, O, Chiang, Y.C, Lam, C.K, Wang, Y, Weng, J.K. | | Deposit date: | 2018-05-09 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9056 Å) | | Cite: | Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT).
PLoS Comput. Biol., 14, 2018
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6DJ5
 | | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6DXB
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6DX9
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6DXC
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1GGP
 | | CRYSTAL STRUCTURE OF TRICHOSANTHES KIRILOWII LECTIN-1 AND ITS RELATION TO THE TYPE 2 RIBOSOME INACTIVATING PROTEINS | | Descriptor: | PROTEIN (LECTIN 1 A CHAIN), PROTEIN (LECTIN 1 B CHAIN) | | Authors: | Li, M, Chai, J.J, Wang, Y.P, Wang, K.Y, Bi, R.C. | | Deposit date: | 2000-09-07 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Trichosanthes Kirilowii Lectin-1 and its Relation to the Type 2 Ribosome Inactivating Proteins
PROTEIN PEPT.LETT., 8, 2003
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4WGI
 | | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2014-09-18 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
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5WS0
 | | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | | Descriptor: | 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
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5X3P
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5X4L
 | | Crystal structure of the UBX domain of human UBXD7 in complex with p97 N domain | | Descriptor: | Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 7 | | Authors: | Jiang, T, Li, Z, Wang, Y, Xu, M. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
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6LTU
 | | Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket | | Descriptor: | 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ... | | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | | Deposit date: | 2020-01-23 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
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6LY6
 | | PylRS C-terminus domain mutant bound with 3-(1-Naphthyl)-L-alanine and AMPNP | | Descriptor: | MAGNESIUM ION, NAPHTHALEN-2-YL-3-ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5001328 Å) | | Cite: | Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
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