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6S07
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BU of 6s07 by Molmil
Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen.
Descriptor: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Miarzlou, D.A, Seebeck, F.P.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen.
Chem Sci, 10, 2019
6S4C
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BU of 6s4c by Molmil
Crystal Structure of the vWFA2 subdomain of type VII collagen
Descriptor: Collagen alpha-1(VII) chain, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gebauer, J.M, Flachsenberg, F, Baumann, U, Seeger, K.
Deposit date:2019-06-27
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites.
Febs Open Bio, 10, 2020
6S8Y
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BU of 6s8y by Molmil
Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer
Descriptor: 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate, ACETATE ION, Cytochrome c iso-1, ...
Authors:Alex, J.M, Corvaglia, V, Hu, X, Engilberge, S, Huc, I, Crowley, P.B.
Deposit date:2019-07-10
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution.
Chem.Commun.(Camb.), 55, 2019
7KD4
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BU of 7kd4 by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P21.
Descriptor: Maltodextrin-binding protein and Phosphoprotein fusion protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Webby, M.N, Kingston, R.L.
Deposit date:2020-10-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.312 Å)
Cite:Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
6XQV
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BU of 6xqv by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone
Descriptor: CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQZ
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BU of 6xqz by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
Descriptor: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
7KD5
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BU of 7kd5 by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P212121
Descriptor: 1,2-ETHANEDIOL, Maltodextrin-binding protein and Phosphoprotein fusion protein, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Webby, M.N, Kingston, R.L.
Deposit date:2020-10-08
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
6XSP
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BU of 6xsp by Molmil
Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-15
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
6XSQ
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BU of 6xsq by Molmil
Crystal structure of E.coli DsbA in complex with 2-(6-(3-methoxyphenyl)-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Authors:Wang, G, Heras, B.
Deposit date:2020-07-16
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
6XT3
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BU of 6xt3 by Molmil
Crystal structure of E.coli DsbA in complex with 3-(3-(carboxymethyl)-6-(3-methoxyphenyl)benzofuran-2-yl)benzoic acid
Descriptor: 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2020-07-17
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
7JUK
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BU of 7juk by Molmil
Crystal structure of PTEN with a tetra-phosphorylated tail (4p-crPTEN-13sp-T2, SDTTDSDPENEG)
Descriptor: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
Authors:Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
Deposit date:2020-08-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
6SHK
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BU of 6shk by Molmil
High resolution structure of the antimicrobial peptide Dermcidin from human
Descriptor: Dermcidin, ZINC ION
Authors:Zeth, K.
Deposit date:2019-08-07
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal Structure and Functional Mechanism of a Human Antimicrobial Membrane Channel
To be published
7K3H
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BU of 7k3h by Molmil
Crystal structure of deep network hallucinated protein 0217
Descriptor: Network hallucinated protein 0217
Authors:Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D.
Deposit date:2020-09-11
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
6XR6
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BU of 6xr6 by Molmil
Abl 1b isoform active state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6XR7
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BU of 6xr7 by Molmil
Abl isoform 1b inactive1 state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
7JT9
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BU of 7jt9 by Molmil
Fgr SH3 domain crystal structure
Descriptor: Tyrosine-protein kinase Fgr
Authors:Perez, I, Berndt, S, Gurevich, V.V, Iverson, T.M.
Deposit date:2020-08-17
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A Model for the Signal Initiation Complex Between Arrestin-3 and the Src Family Kinase Fgr.
J.Mol.Biol., 434, 2022
6Y4P
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BU of 6y4p by Molmil
Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain
Descriptor: CALCIUM ION, Calmodulin-1, Ryanodine receptor 2
Authors:Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R.
Deposit date:2020-02-21
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13325572 Å)
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6Y54
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BU of 6y54 by Molmil
Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab
Descriptor: 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ...
Authors:Dello Iacono, L, Henriques, P, Adamo, R.
Deposit date:2020-02-24
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Y67
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BU of 6y67 by Molmil
Structure of apo Finch Polyomavirus VP1
Descriptor: CHLORIDE ION, Capsid protein VP1
Authors:Stroh, L.J, Rustmeier, N.H, Stehle, T.
Deposit date:2020-02-26
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family.
Mbio, 11, 2020
6Y60
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BU of 6y60 by Molmil
Structure of Human Polyomavirus 12 VP1 in complex with 3'-Sialyllactosamine
Descriptor: Capsid protein VP1, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Stroh, L.J, Rustmeier, N.H, Stehle, T.
Deposit date:2020-02-26
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family.
Mbio, 11, 2020
6Y96
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BU of 6y96 by Molmil
solution structure of cold-shock domain 9 of drosophila Upstream of N-Ras (Unr)
Descriptor: Upstream of N-ras, isoform A
Authors:Sweetapple, L.J, Hollmann, N.M, Simon, B, Hennig, J.
Deposit date:2020-03-06
Release date:2020-07-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Pseudo-RNA-Binding Domains Mediate RNA Structure Specificity in Upstream of N-Ras.
Cell Rep, 32, 2020
6SAQ
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BU of 6saq by Molmil
wild-type NuoEF from Aquifex aeolicus bound to NADH-OH
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Gerhardt, S.
Deposit date:2019-07-17
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH.
Angew.Chem.Int.Ed.Engl., 2021
6Y64
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BU of 6y64 by Molmil
Structure of Sheep Polyomavirus VP1 in complex with 6'-Sialyllactosamine
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, GLYCEROL, ...
Authors:Stroh, L.J, Rustmeier, N.H, Stehle, T.
Deposit date:2020-02-26
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family.
Mbio, 11, 2020

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數據於2024-07-17公開中

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