8V7I
 
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8V7J
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4RHZ
 | | Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex | | Descriptor: | CALCIUM ION, Cry23AA1, Cry37AA1, ... | | Authors: | Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A. | | Deposit date: | 2014-10-03 | | Release date: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
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7UR3
 | | Hsp90 alpha inhibitor | | Descriptor: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | | Deposit date: | 2022-04-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8V7D
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8V7F
 | | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+ | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T*())-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Chang, C, Gao, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+
To Be Published
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4JSQ
 | | Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4e | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
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7V0C
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, Palindromic DNA18, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
To Be Published
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7V0R
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA | | Descriptor: | Cyclic GMP-AMP synthase, MAGNESIUM ION, Palindromic DNA18, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA
To Be Published
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7AEQ
 | | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... | | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-09-18 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
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7AES
 | | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... | | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-09-18 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
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7AGN
 | | Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide | | Descriptor: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... | | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2020-09-23 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
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7UKL
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4RSZ
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4GDX
 | | Crystal Structure of Human Gamma-Glutamyl Transpeptidase--Glutamate complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | | Authors: | West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme.
J.Biol.Chem., 288, 2013
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4JT0
 | | Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.
J.Med.Chem., 56, 2013
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4TSH
 | | A Novel Protein Fold Forms an Intramolecular Lock to Stabilize the Tertiary Structure of Streptococcus mutans Adhesin P1 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Surface protein adhesin | | Authors: | Heim, K.P, Kailasan, S, McKenna, R, Brady, L.J. | | Deposit date: | 2014-06-18 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5NJV
 | | Flavivirus NS5 domain | | Descriptor: | CHLORIDE ION, NS5, S-ADENOSYLMETHIONINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
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5NJL
 | | Cwp2 from Clostridium difficile | | Descriptor: | Cell surface protein (Putative S-layer protein), SULFATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-03-29 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cwp2 from Clostridium difficile exhibits an extended three domain fold and cell adhesion in vitro.
FEBS J., 284, 2017
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5NJU
 | | Flavivirus NS5 domain | | Descriptor: | Genome polyprotein, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
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8V7B
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4RN5
 | | B1 domain of human Neuropilin-1 with acetate ion in a ligand-binding site | | Descriptor: | ACETATE ION, GLYCEROL, Neuropilin-1, ... | | Authors: | Allerston, C.K, Yelland, T.S, Jarvis, A, Jenkins, K, Winfield, N, Cheng, L, Jia, H, Zachary, I, Selwood, D.L, Djordjevic, S. | | Deposit date: | 2014-10-23 | | Release date: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Conserved water molecules in a ligand-binding site of neuropilin-1
To be Published
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8WY7
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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5NV4
 | | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7U4E
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