7D25
 
 | | Hsp90 alpha N-terminal domain in complex with a 14 compund | | Descriptor: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7D1V
 | | Hsp90 alpha N-terminal domain in complex with a 6C compund | | Descriptor: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.332 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7FGN
 | | The crystal structure of the FAF1 UBL1 | | Descriptor: | FAS-associated factor 1 | | Authors: | Kim, E.E, ParK, J.K, Shin, S.C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
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7FGM
 | | The complex crystals structure of the FAF1 UBL1_L-Hsp70 NBD with ADP and phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FAS-associated factor 1, Heat shock 70 kDa protein 1A, ... | | Authors: | Kim, E.E, ParK, J.K, Shin, S.C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
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5XDA
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6AVB
 | | CryoEM structure of Mical Oxidized Actin (Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | Authors: | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | | Deposit date: | 2017-09-01 | | Release date: | 2018-01-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catastrophic disassembly of actin filaments via Mical-mediated oxidation.
Nat Commun, 8, 2017
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6AV9
 | | CryoEM structure of Mical Oxidized Actin (Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | Authors: | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | | Deposit date: | 2017-09-01 | | Release date: | 2018-01-17 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catastrophic disassembly of actin filaments via Mical-mediated oxidation.
Nat Commun, 8, 2017
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5GKA
 | | cryo-EM structure of human Aichi virus | | Descriptor: | Genome polyprotein, capsid protein VP0, capsid protein VP1 | | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I. | | Deposit date: | 2016-07-04 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
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5H22
 | | Hsp90 alpha N-terminal domain in complex with an inhibitor | | Descriptor: | 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine, Hsp90aa1 protein | | Authors: | Kim, E.E, Shin, S.C, Keum, G.C. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5GVJ
 | | Structure of FabK (M276A) mutant from Thermotoga maritima | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [FMN], SODIUM ION | | Authors: | Kim, E.E, Shin, S.C, Ha, B.H, Moon, J.H. | | Deposit date: | 2016-09-06 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biochemical characterization of FabK from Thermotoga maritima.
Biochem. Biophys. Res. Commun., 482, 2017
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5Y7K
 | | Crystal structure of human DPP4 in complex with inhibitor1 | | Descriptor: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4 | | Authors: | Lee, H.K, Kim, E.E. | | Deposit date: | 2017-08-17 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV.
Biochem.Biophys.Res.Commun., 494, 2017
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5Y7J
 | | Crystal structure of human DPP4 in complex with inhibitor2 | | Descriptor: | (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4 | | Authors: | Lee, H.K, Kim, E.E. | | Deposit date: | 2017-08-17 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.521 Å) | | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV.
Biochem.Biophys.Res.Commun., 494, 2017
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5GVH
 | | Structure of FabK from Thermotoga maritima | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [FMN], FLAVIN MONONUCLEOTIDE, SODIUM ION | | Authors: | Kim, E.E, Shin, S.C, Ha, B.H, Moon, J.H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Structural and biochemical characterization of FabK from Thermotoga maritima.
Biochem. Biophys. Res. Commun., 482, 2017
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5Y7H
 | | Crystal structure of human DPP4 in complex with inhibitor3 | | Descriptor: | (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one, Dipeptidyl peptidase 4 | | Authors: | Lee, H.K, Kim, E.E. | | Deposit date: | 2017-08-17 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV.
Biochem.Biophys.Res.Commun., 494, 2017
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6CHI
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide | | Descriptor: | 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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6BM8
 | | Crystal structure of glycoprotein B from Herpes Simplex Virus type I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, ... | | Authors: | Cooper, R.S, Heldwein, E.E. | | Deposit date: | 2017-11-13 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural basis for membrane anchoring and fusion regulation of the herpes simplex virus fusogen gB.
Nat. Struct. Mol. Biol., 25, 2018
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6CIR
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | | Descriptor: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E, Fehl, C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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6CIZ
 | | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 nitrile | | Descriptor: | 6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | Scott, E.E, Fehl, C. | | Deposit date: | 2018-02-25 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
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5IRV
 | | Human cytochrome P450 17A1 bound to inhibitor VT-464 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | | Authors: | Scott, E.E, Petrunak, E.M. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
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5ZQM
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5ZQL
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5IRQ
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5J2Z
 | | PRV UL37 N-terminal half (R2 mutant) | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Heldwein, E.E, Pitts, J.D. | | Deposit date: | 2016-03-30 | | Release date: | 2017-10-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The pUL37 tegument protein guides alpha-herpesvirus retrograde axonal transport to promote neuroinvasion.
PLoS Pathog., 13, 2017
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1STB
 | | ACCOMMODATION OF INSERTION MUTATIONS ON THE SURFACE AND IN THE INTERIOR OF STAPHYLOCOCCAL NUCLEASE | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Quirk, S, Gittis, A, Keefe, L.J, Lattman, E.E. | | Deposit date: | 1994-01-17 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Accommodation of insertion mutations on the surface and in the interior of staphylococcal nuclease.
Protein Sci., 3, 1994
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4OGW
 | | Structure of a human CD38 mutant complexed with NMN | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | Authors: | Shewchuk, L.M, Preugschat, F, Carter, L.H, Boros, E.E, Moyer, M.B, Stewart, E.L, Porter, D.J.T. | | Deposit date: | 2014-01-16 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A pre-steady state and steady state kinetic analysis of the N-ribosyl hydrolase activity of hCD157.
Arch.Biochem.Biophys., 564C, 2014
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