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8V2W
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BU of 8v2w by Molmil
Crystal Structure of the ancestral triosephosphate isomerase reconstruction of the last opisthokont common ancestor obtained by Bayesian inference
Descriptor: GLYCEROL, Triosephosphate isomerase
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra, Y, Fernandez-Velasco, D.A.
Deposit date:2023-11-24
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
8DND
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BU of 8dnd by Molmil
Crystal structure of Bothrops pirajai Piratoxin-I (PrTX-I) and synthetic inhibitor Varespladib (LY315920)
Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog piratoxin-1, SULFATE ION
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2022-07-11
Release date:2023-08-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.018 Å)
Cite:Structural basis of the myotoxic inhibition of the Bothrops pirajai PrTX-I by the synthetic varespladib.
Biochimie, 207, 2023
8F3A
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BU of 8f3a by Molmil
HIV-1 gp41 coiled-coil pocket IQN17
Descriptor: ACETIC ACID, CHLORIDE ION, IQN17
Authors:Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S.
Deposit date:2022-11-09
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
8F3B
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BU of 8f3b by Molmil
HIV-1 gp41 coiled-coil pocket IQN22
Descriptor: IQN22
Authors:Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S.
Deposit date:2022-11-09
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
8DZK
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BU of 8dzk by Molmil
Dbr1 in complex with 5-mer cleavage product
Descriptor: FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
6ZVF
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BU of 6zvf by Molmil
Crystal structure of the recombinant Fab fragment derived from the hybridoma M3/38 in complex with a human Galectin-3 peptide
Descriptor: Chimeric Fab M3/38 (L,H), Galectin-3
Authors:Skerra, A, Eichinger, A.
Deposit date:2020-07-24
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo.
Sci Rep, 11, 2021
8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8V2X
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BU of 8v2x by Molmil
Crystal Structure of the reconstruction of the worst case of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by bayesian inference
Descriptor: Triosephosphate isomerase
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
Deposit date:2023-11-24
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
7A70
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BU of 7a70 by Molmil
HEW lysozyme in complex with Ti(OH)4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Calderone, V, Gigli, L, Ravera, E, Luchinat, C.
Deposit date:2020-08-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
8V09
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BU of 8v09 by Molmil
Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by bayesian inference with PGH
Descriptor: ACETIC ACID, FORMIC ACID, PHOSPHOGLYCOLOHYDROXAMIC ACID, ...
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
Deposit date:2023-11-17
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
8F5K
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BU of 8f5k by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110A mutant
Descriptor: Azurin, COPPER (II) ION
Authors:Zeug, M, Offenbacher, A.R, Choe, J.
Deposit date:2022-11-14
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
8F5L
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BU of 8f5l by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Zeug, M, Offenbacher, A.R, Choe, J.
Deposit date:2022-11-14
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
8VSK
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BU of 8vsk by Molmil
Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol
Descriptor: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-24
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.515 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8WZU
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BU of 8wzu by Molmil
4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus.
Descriptor: 4-hydroxybutyrate--CoA ligase [ADP-forming], SULFATE ION
Authors:Johnson, J, Demirci, H.
Deposit date:2023-11-02
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of 4-hydroxybutyryl CoA synthetase (ADP-forming): A Key Enzyme in the Thaumarchaeal Hydroxypropionate/Hydroxybutyrate cycle.
To Be Published
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
Deposit date:2022-10-24
Release date:2023-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
Descriptor: k-cTRP5
Authors:Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
Deposit date:2022-10-17
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
8TWR
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BU of 8twr by Molmil
Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, P283S, R416A
Descriptor: Nucleoprotein, SODIUM ION
Authors:Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D.
Deposit date:2023-08-21
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure.
Sci Adv, 10, 2024
8VYL
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BU of 8vyl by Molmil
The structure of Human Hemoglobin in Complex with Nanobody BtNbE11
Descriptor: ACETYL GROUP, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Grinter, R, Binks, S, Fox, D.
Deposit date:2024-02-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure of a haemoglobin-nanobody complex reveals human beta-subunit-specific interactions.
Febs Lett., 2024
8VZR
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BU of 8vzr by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol
Descriptor: 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-02-12
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8W08
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BU of 8w08 by Molmil
Crystal Structure of the worst case reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood
Descriptor: FLUORIDE ION, Triosephosphate isomerase
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
Deposit date:2024-02-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
8EK4
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BU of 8ek4 by Molmil
De novo designed ice-binding proteins from twist-constrained helices
Descriptor: Ice-binding protein TIP-99a
Authors:Bera, A.K, De Haas, R.J.
Deposit date:2022-09-19
Release date:2023-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:De novo designed ice-binding proteins from twist-constrained helices.
Proc.Natl.Acad.Sci.USA, 120, 2023
8UGC
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BU of 8ugc by Molmil
FD15: Flat repeat helix-turn-helix-turn protein
Descriptor: FD15
Authors:Davila-Hernandez, F, Bera, A.K, Kang, A, Baker, D.
Deposit date:2023-10-05
Release date:2023-12-27
Method:X-RAY DIFFRACTION (4 Å)
Cite:Directing polymorph specific calcium carbonate formation with de novo protein templates.
Nat Commun, 14, 2023
8W05
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BU of 8w05 by Molmil
Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood
Descriptor: Triosephosphate isomerase
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
Deposit date:2024-02-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
8W06
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BU of 8w06 by Molmil
Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ACETIC ACID, ...
Authors:Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
Deposit date:2024-02-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024

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数据于2024-09-25公开中

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