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7F62
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BU of 7f62 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with a neutralizing antibody chAb-25 (Focused refinement of S-RBD and chAb-25 region)
Descriptor: RBD-chAb-25, Heavy chain, Light chain, ...
Authors:Yang, T.J, Yu, P.Y, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-06-24
Release date:2021-08-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure-guided antibody cocktail for prevention and treatment of COVID-19.
Plos Pathog., 17, 2021
4UHB
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BU of 4uhb by Molmil
Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1
Descriptor: 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL
Authors:Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M.
Deposit date:2015-03-23
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
3QT0
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BU of 3qt0 by Molmil
Revealing a steroid receptor ligand as a unique PPARgamma agonist
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma
Authors:Rong, H.
Deposit date:2011-02-22
Release date:2012-02-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
2POI
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BU of 2poi by Molmil
Crystal structure of XIAP BIR1 domain (I222 form)
Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Lin, S.
Deposit date:2007-04-26
Release date:2007-07-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
3HCS
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BU of 3hcs by Molmil
Crystal structure of the N-terminal domain of TRAF6
Descriptor: TNF receptor-associated factor 6, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
3HCU
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BU of 3hcu by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the C2 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
3HCT
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BU of 3hct by Molmil
Crystal structure of TRAF6 in complex with Ubc13 in the P1 space group
Descriptor: TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION
Authors:Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
6C7H
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BU of 6c7h by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 18 Design Trp50Ala mutant
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7M
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BU of 6c7m by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 19 round 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7V
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BU of 6c7v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 22 round 5
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C8B
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BU of 6c8b by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 23 round 6
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-24
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7T
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BU of 6c7t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
Descriptor: Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-30
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CT3
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BU of 6ct3 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ...
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-03-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DKV
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BU of 6dkv by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-30
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DC1
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BU of 6dc1 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 25 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-nitro-2-oxidanyl-benzenecarbonitrile, ...
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6DNJ
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BU of 6dnj by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-06-06
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
4Y9S
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BU of 4y9s by Molmil
structure of an H300N mutant of potato epoxide hydrolase, StEH1
Descriptor: Epoxide hydrolase
Authors:Naworyta, A, Mowbray, S.L, Widersten, M.
Deposit date:2015-02-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.
ACS Catal, 5, 2015
6BM9
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BU of 6bm9 by Molmil
Directed evolutionary changes in MBL super family - VIM-2 Round 10
Descriptor: GLYCEROL, Metallo-beta-lactamase, ZINC ION
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Elife, 8, 2019
4Q1U
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BU of 4q1u by Molmil
Serum paraoxonase-1 by directed evolution with the K192Q mutation
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2014-04-04
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
6PYP
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BU of 6pyp by Molmil
Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant
Descriptor: 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
Authors:Gulick, A.M.
Deposit date:2019-07-30
Release date:2020-07-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase.
Acs Catalysis, 10, 2020
7S4F
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BU of 7s4f by Molmil
Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Brandao, T.A.S, Hengge, A.C, Johnson, S.J.
Deposit date:2021-09-08
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
430D
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BU of 430d by Molmil
STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA
Descriptor: MAGNESIUM ION, SARCIN/RICIN LOOP FROM RAT 28S R-RNA
Authors:Correll, C.C, Munishkin, A, Chan, Y.L, Ren, Z, Wool, I.G, Steitz, T.A.
Deposit date:1998-10-04
Release date:1998-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ribosomal RNA domain essential for binding elongation factors.
Proc.Natl.Acad.Sci.USA, 95, 1998
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
Descriptor: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5AJ9
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BU of 5aj9 by Molmil
G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ...
Authors:Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
Deposit date:2015-02-20
Release date:2016-03-16
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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