8JMO
 
 | | Structure of a leaf-branch compost cutinase, ICCG in complex with 4-((4-Hydroxybutoxy)carbonyl)benzoic acid | | Descriptor: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid, CALCIUM ION, Leaf-branch compost cutinase | | Authors: | Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
J Hazard Mater, 464, 2023
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4TXS
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | (4-hydroxyphenyl)acetonitrile, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TY8
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 6-methyl-2H-chromen-2-one, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4XDZ
 | | Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | | Deposit date: | 2014-12-20 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
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4XDY
 | | Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | | Deposit date: | 2014-12-20 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.535 Å) | | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
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4XEH
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8KH5
 | | Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS | | Descriptor: | CHOLESTEROL, 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: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | | Deposit date: | 2023-08-21 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
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8KH4
 | | Cryo-EM structure of the GPR161-Gs complex | | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | | Deposit date: | 2023-08-21 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | PKMYT1_Cocrystal_Cpd 4
To Be Published
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4UHP
 | | Crystal structure of the pyocin AP41 DNase-Immunity complex | | Descriptor: | BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41 | | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | | Deposit date: | 2015-03-25 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
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5BR4
 | | E. coli lactaldehyde reductase (FucO) M185C mutant | | Descriptor: | CHLORIDE ION, GLYCEROL, Lactaldehyde reductase, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | | Deposit date: | 2015-05-29 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes.
Protein Eng.Des.Sel., 29, 2016
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4UHQ
 | | Crystal structure of the pyocin AP41 DNase | | Descriptor: | CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION | | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | | Deposit date: | 2015-03-25 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
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5E4R
 | | Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H. | | Deposit date: | 2015-10-07 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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4KQX
 | | Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor | | Descriptor: | HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KQW
 | | The structure of the Slackia exigua KARI in complex with NADP | | Descriptor: | Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
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8KDB
 | | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in dimeric form | | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
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8KDC
 | | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in monomeric form | | Descriptor: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | | Authors: | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
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7Y72
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface) | | Descriptor: | Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein | | Authors: | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | Deposit date: | 2022-06-21 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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7Y71
 | | SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab E7 heavy chain, ... | | Authors: | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | | Deposit date: | 2022-06-21 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
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4TPO
 | | High-resolution structure of TxtE with bound tryptophan substrate | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ... | | Authors: | Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H. | | Deposit date: | 2014-06-08 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.225 Å) | | Cite: | Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
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4TPN
 | | High-resolution structure of TxtE in the absence of substrate | | Descriptor: | GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H. | | Deposit date: | 2014-06-08 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
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4TSK
 | | Ketol-acid reductoisomerase from Alicyclobacillus acidocaldarius | | Descriptor: | Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Uncovering rare NADH-preferring ketol-acid reductoisomerases.
Metab. Eng., 26C, 2014
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7MO1
 | | Crystal Structure of the ZnF1 of Nucleoporin NUP153 in complex with Ran-GDP | | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2022-06-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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7MNW
 | | Crystal Structure of Nup358/RanBP2 Ran-binding domain 1 in complex with Ran-GPPNHP | | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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