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2LAF
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BU of 2laf by Molmil
NMR solution structure of the N-terminal domain of the E. coli lipoprotein BamC
Descriptor: Lipoprotein 34
Authors:Pardi, A, Warner, L.
Deposit date:2011-03-11
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the BamC Two-Domain Protein Obtained by Rosetta with a Limited NMR Data Set.
J.Mol.Biol., 411, 2011
6YQY
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BU of 6yqy by Molmil
Crystal structure of sTIM11noCys, a de novo designed TIM barrel
Descriptor: de novo designed TIM barrel sTIM11noCys
Authors:Romero-Romero, S, Wiese, G.J, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B.
Deposit date:2020-04-18
Release date:2021-07-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
6YQX
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BU of 6yqx by Molmil
Crystal structure of DeNovoTIM13, a de novo designed TIM barrel
Descriptor: CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13
Authors:Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B.
Deposit date:2020-04-18
Release date:2021-07-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.638 Å)
Cite:The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
3T58
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BU of 3t58 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
3T59
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BU of 3t59 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
Authors:Fass, D, Alon, A, Gat, Y.
Deposit date:2011-07-27
Release date:2012-05-30
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
6Z2I
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BU of 6z2i by Molmil
Crystal structure of DeNovoTIM6, a de novo designed TIM barrel
Descriptor: de novo designed TIM barrel DeNovoTIM6
Authors:Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A, Hocker, B.
Deposit date:2020-05-15
Release date:2021-07-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
Descriptor: neoleukin-4
Authors:Jude, K.M, Spangler, J.B, Garcia, K.C.
Deposit date:2022-08-06
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8EQI
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BU of 8eqi by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.2.0
Descriptor: Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-10-07
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6.
Acs Chem.Biol., 18, 2023
8FEG
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BU of 8feg by Molmil
CryoEM structure of Kappa Opioid Receptor bound to a semi-peptide and Gi1
Descriptor: ACE-TYR-ALA-DTY-THR-THR-CYS-THR-DPN-XT9, 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:Fay, J.F, Che, T.
Deposit date:2022-12-06
Release date:2023-12-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Design and structural validation of peptide-drug conjugate ligands of the kappa-opioid receptor.
Nat Commun, 14, 2023
7BGU
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BU of 7bgu by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor
Authors:Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.433 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
7BGT
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BU of 7bgt by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ...
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
7F1L
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BU of 7f1l by Molmil
Designed enzyme RA61 M48K/I72D mutant: form V
Descriptor: CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE
Authors:Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:2021-06-09
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1H
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BU of 7f1h by Molmil
Designed enzyme RA61 M48K/I72D mutant: form I
Descriptor: Engineered Retroaldolase, FORMIC ACID, GLYCEROL
Authors:Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:2021-06-09
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1K
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BU of 7f1k by Molmil
Designed enzyme RA61 M48K/I72D mutant: form IV
Descriptor: Engineered Retroaldolase
Authors:Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:2021-06-09
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1J
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BU of 7f1j by Molmil
Designed enzyme RA61 M48K/I72D mutant: form III
Descriptor: Engineered Retroaldolase
Authors:Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:2021-06-09
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1I
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BU of 7f1i by Molmil
Designed enzyme RA61 M48K/I72D mutant: form II
Descriptor: Engineered Retroaldolase
Authors:Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
Deposit date:2021-06-09
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
3NR6
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BU of 3nr6 by Molmil
Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease
Descriptor: PHOSPHATE ION, POTASSIUM ION, Protease p14
Authors:Lubkowski, J, Li, M, Gustchina, A, Zhou, D, Dauter, Z, Wlodawer, A.
Deposit date:2010-06-30
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of XMRV protease differs from the structures of other retropepsins.
Nat.Struct.Mol.Biol., 18, 2011
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
Descriptor: BH32.7 protein
Authors:Levy, C.W.
Deposit date:2021-03-29
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
8OYW
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BU of 8oyw by Molmil
De novo designed rhomboid protease-like fold RPF_9
Descriptor: De novo designed soluble Rhomboid protease-like protein, SODIUM ION
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024

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