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6HL1
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Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA
Descriptor: Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ...
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2018-09-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
6SUO
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ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6)
Descriptor: (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor
Authors:Breed, J.
Deposit date:2019-09-16
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Acs Med.Chem.Lett., 10, 2019
7LUI
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BU of 7lui by Molmil
Crystal structure of Vibrio cholerae DsbA in complex with bile salt taurocholate
Descriptor: GLYCEROL, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2021-02-22
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
7LSM
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Crystal structure of E.coli DsbA in complex with bile salt taurocholate
Descriptor: DI(HYDROXYETHYL)ETHER, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2021-02-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
6HVO
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BU of 6hvo by Molmil
Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta
Descriptor: DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION
Authors:Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A.
Deposit date:2018-10-11
Release date:2019-01-23
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA).
J.Biol.Chem., 294, 2019
6TH7
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BU of 6th7 by Molmil
Structure of porcine pancreatic elastase in complex with tutuilamide
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-11-18
Release date:2020-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
6I6O
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BU of 6i6o by Molmil
Circular permutant of ribosomal protein S6, swap helix 2, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6Y
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BU of 6i6y by Molmil
Circular permutant of ribosomal protein S6, swap helix 2
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
7LC0
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BU of 7lc0 by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
Descriptor: ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Phillips, R.S.
Deposit date:2021-01-09
Release date:2021-06-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
7LCE
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BU of 7lce by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
Descriptor: CALCIUM ION, D-glucosaminate-6-phosphate ammonia lyase, DIMETHYL SULFOXIDE
Authors:Phillips, R.S.
Deposit date:2021-01-10
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
6U11
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Xenopus laevis N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) (C46S C219S C453S C480S C486S) with CTD mostly flexible
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2019-08-15
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
6I6W
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BU of 6i6w by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SLO
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BU of 6slo by Molmil
Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine
Descriptor: 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol, MAGNESIUM ION, Thioredoxin,Poly(U)-binding-splicing factor PUF60
Authors:Jagtap, P.K.A, Kubelka, T, Bach, T, Sattler, M.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly.
Nat Commun, 11, 2020
6RMC
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BU of 6rmc by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ...
Authors:Hamann, F, Neumann, P, Schmitt, A, Ficner, R.
Deposit date:2019-05-06
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UIK
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BU of 6uik by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
Authors:Zhao, B.
Deposit date:2019-10-01
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-09-30
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7MRU
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BU of 7mru by Molmil
Crystal structure of S62A MIF2 mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-dopachrome decarboxylase
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-09
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MW7
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BU of 7mw7 by Molmil
Crystal structure of P1G mutant of D-dopachrome tautomerase
Descriptor: D-dopachrome decarboxylase, SODIUM ION, SULFATE ION
Authors:Manjula, R, Murphy, E.L, Murphy, J.W, Lolis, E.
Deposit date:2021-05-15
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MSE
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BU of 7mse by Molmil
High-resolution crystal structure of hMIF2 with tartrate at the active site
Descriptor: D-dopachrome decarboxylase, L(+)-TARTARIC ACID
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-11
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7MRV
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BU of 7mrv by Molmil
F100A mutant structure of MIF2 (D-DT)
Descriptor: D-dopachrome decarboxylase, SULFATE ION
Authors:Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E.
Deposit date:2021-05-09
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
7L3R
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BU of 7l3r by Molmil
23S Sarcin Ricin Loop with a 3-deazapurine A2670
Descriptor: GLYCEROL, RNA (27-MER)
Authors:Ennifar, E, Renard, E.
Deposit date:2020-12-18
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Impact of 3-deazapurine nucleobases on RNA properties.
Nucleic Acids Res., 49, 2021
7M98
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BU of 7m98 by Molmil
ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4
Authors:Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
Deposit date:2021-03-30
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
6RM8
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BU of 6rm8 by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Hamann, F, Neumann, P, Ficner, R.
Deposit date:2019-05-06
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
Descriptor: Protein hedgehog
Authors:Li, H, Li, Z, Wang, C, Callahan, B.P.
Deposit date:2019-08-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020

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數據於2024-07-17公開中

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