8GKV
 
 | | Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
|
|
2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
7XSV
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | Descriptor: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | Authors: | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | Deposit date: | 2022-05-15 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
|
|
2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
4M3Q
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | | Authors: | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-06 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.718 Å) | | Cite: | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
|
|
3VM7
 | | Structure of an Alpha-Amylase from Malbranchea cinnamomea | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Zhou, P, Hu, S.Q, Zhou, Y, Han, P, Yang, S.Q, Jiang, Z.Q. | | Deposit date: | 2011-12-09 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
Appl Biochem Biotechnol., 170, 2013
|
|
6IGY
 | |
7VRG
 | | Crystal structure of chitinase-h from O. furnacalis in complex with Lynamicin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | | Deposit date: | 2021-10-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lynamicin B is a Potential Pesticide by Acting as a Lepidoptera-Exclusive Chitinase Inhibitor.
J.Agric.Food Chem., 69, 2021
|
|
6IW7
 | | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | | Descriptor: | (2S)-2-benzamido-4-methyl-pentanoic acid, 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, ATP-dependent Clp protease proteolytic subunit 1, ... | | Authors: | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | | Deposit date: | 2018-12-04 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.692121 Å) | | Cite: | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
To Be Published
|
|
6JAY
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a dipyrido-pyrimidine derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
|
|
7WI6
 | | Cryo-EM structure of LY341495/NAM-bound mGlu3 | | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | | Authors: | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-16 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
|
|
7WIH
 | | Cryo-EM structure of LY2794193-bound mGlu3 | | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | | Authors: | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-16 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
|
|
7W0V
 | | C4'-SCF3-DT modifeid DNA-DNA duplex | | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*(DSW)P*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3') | | Authors: | Li, Q, Trajkovski, M, Fan, C, Chen, J, Zhou, Y, Lu, K, Li, H, Su, X, Xi, Z, Plavec, J, Zhou, C. | | Deposit date: | 2021-11-18 | | Release date: | 2022-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 4'-SCF 3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA.
Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7WI8
 | | Cryo-EM structure of inactive mGlu3 bound to LY341495 | | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3 | | Authors: | Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-16 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
|
|
6JAX
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with chitooctaose [(GlcN)8] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-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-(1-4)-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-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
|
|
6JAW
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a napthalimide derivative | | Descriptor: | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
|
|
6JAV
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a piperidine-thienopyridine derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.437 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
|
|
7VUH
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
|
|
7VUG
 | | Cryo-EM structure of a class A orphan GPCR in complex with Gi | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
|
|
7VUJ
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
|
|
7VUI
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
|
|
2GIZ
 | | Structural and functional analysis of Natrin, a member of crisp-3 family blocks a variety of ion channels | | Descriptor: | Natrin-1 | | Authors: | Jiang, T, Wang, F, Li, H, Yin, C, Zhou, Y, Shu, Y, Qi, Z, Lin, Z. | | Deposit date: | 2006-03-30 | | Release date: | 2006-11-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and functional analysis of natrin, a venom protein that targets various ion channels
Biochem.Biophys.Res.Commun., 351, 2006
|
|
2J6P
 | | STRUCTURE OF AS-SB REDUCTASE FROM LEISHMANIA MAJOR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SB(V)-AS(V) REDUCTASE, ... | | Authors: | Bisacchi, D, Zhou, Y, Rosen, B.P, Mukhopadhyay, R, Bordo, D. | | Deposit date: | 2006-10-02 | | Release date: | 2007-10-02 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural characterization of the As/Sb reductase LmACR2 from Leishmania major.
J. Mol. Biol., 386, 2009
|
|
2JXH
 | |
