7FAI
 
 | | CARM1 bound with compound 9 | | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | | Authors: | Cao, D.Y, Li, J, Xiong, B. | | Deposit date: | 2021-07-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09749269 Å) | | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
|
|
4PRJ
 | |
6B7O
 | | Crystal structure of Legionella effector sdeD (lpg2509) H67A in complex with ADP-ribosylated Ubiquitin | | Descriptor: | Polyubiquitin-C, SdeD (lpg2509) H67A, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Mao, Y, Akturk, A, Wasilko, J. | | Deposit date: | 2017-10-04 | | Release date: | 2018-04-18 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
|
|
4PQN
 | | ITK kinase domain with compound GNE-9822 | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-03-03 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
|
|
6B7P
 | |
5TSU
 | | Active conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine | | Descriptor: | CYSTEINE, Cystathionine gamma-lyase, METHIONINE, ... | | Authors: | Yan, W, Zhang, Y. | | Deposit date: | 2016-10-31 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Biochemistry, 56, 2017
|
|
1G67
 | | THIAMIN PHOSPHATE SYNTHASE | | Descriptor: | 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2000-11-03 | | Release date: | 2001-09-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
|
|
3TSC
 | |
7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
7U9V
 | | Integrin alaphIIBbeta3 complex with BMS4-1 | | Descriptor: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25492167 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
7THO
 | | Integrin alaphIIBbeta3 complex with Eptifibatide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.20002 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
7U9F
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.70000529 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
5Y53
 | |
7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
|
|
5Y6F
 | | Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | | Authors: | Hou, Y.J, Wang, D.C, Li, D.F. | | Deposit date: | 2017-08-11 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli.
J.Biol.Chem., 295, 2020
|
|
3FE5
 | | Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | | Authors: | Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D. | | Deposit date: | 2008-11-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
|
|
7XH4
 | | Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis complex with safracin A | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Safracin A, Uncharacterized protein sfcH | | Authors: | Ma, X, Shao, N, Zhang, Y, Yang, D, Ma, M, Tang, G. | | Deposit date: | 2022-04-07 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
|
|
7CGN
 | | The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-07-01 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020
|
|
7CGE
 | | The overall structure of nucleotide free MlaFEDB complex | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-07-01 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex.
Cell Res., 30, 2020
|
|
4O0T
 | |
7V2Y
 | | cryo-EM structure of yeast THO complex with Sub2 | | Descriptor: | ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2, ... | | Authors: | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | | Deposit date: | 2021-08-10 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
|
|
4O0Y
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | Descriptor: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | | Authors: | Rouge, L, Tam, C, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-02-12 | | Last modified: | 2014-02-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
|
|
7V2W
 | | protomer structure from the dimer of yeast THO complex | | Descriptor: | Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ... | | Authors: | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | | Deposit date: | 2021-08-10 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
|
|
6JW4
 | | Degenerate RVD RG forms a distinct loop conformation | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | | Authors: | Liu, L, Yi, C. | | Deposit date: | 2019-04-18 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
|
|
