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8DDG
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BU of 8ddg by Molmil
FYF peptide forms a standard beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E, Vlahakis, N.W.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDH
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BU of 8ddh by Molmil
Racemic mixture of FYF peptide reveals rippled beta-sheet
Descriptor: PHE-TYR-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDF
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BU of 8ddf by Molmil
Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet
Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE
Authors:Sawaya, M.R, Hazari, A, Eisenberg, D.E.
Deposit date:2022-06-18
Release date:2022-09-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8CUG
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BU of 8cug by Molmil
Synthetic epi-Novo29 (2R,3S), synchrotron structure
Descriptor: ACETATE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
8CUF
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BU of 8cuf by Molmil
Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure
Descriptor: ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
8CRG
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BU of 8crg by Molmil
E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-03-08
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase.
Biochemistry, 62, 2023
8E7O
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BU of 8e7o by Molmil
CRYSTAL STRUCTURE OF LYS48-LINKED TETRAUBIQUITIN
Descriptor: SULFATE ION, Ubiquitin
Authors:Lemma, B.E, Fushman, D.
Deposit date:2022-08-24
Release date:2022-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
1HC8
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BU of 1hc8 by Molmil
CRYSTAL STRUCTURE OF A CONSERVED RIBOSOMAL PROTEIN-RNA COMPLEX
Descriptor: 58 NUCLEOTIDE RIBOSOMAL 23S RNA DOMAIN, MAGNESIUM ION, OSMIUM ION, ...
Authors:Conn, G.L, Draper, D.E, Lattman, E.E, Gittis, A.G.
Deposit date:2001-04-27
Release date:2002-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Compact RNA Tertiary Structure Contains a Buried Backbone-K+ Complex
J.Mol.Biol., 318, 2002
3BSQ
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BU of 3bsq by Molmil
Crystal structure of human kallikrein 7 produced as a secretion protein in E.coli
Descriptor: Kallikrein-7, SULFATE ION
Authors:Fernandez, I.S, Standker, L, Magert, H.J, Forssmann, W.G, Gimenez-Gallego, G, Romero, A.
Deposit date:2007-12-26
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human epidermal kallikrein 7 (hK7) synthesized directly in its native state in E. coli: insights into the atomic basis of its inhibition by LEKTI domain 6 (LD6)
J.Mol.Biol., 377, 2008
8DOV
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BU of 8dov by Molmil
Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin
Descriptor: GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ...
Authors:Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2022-07-14
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DWL
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BU of 8dwl by Molmil
Inhibitor-3:PP1 coexpressed complex
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase PPP1R11, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ...
Authors:Choy, M.S, Srivastava, G, Page, R, Peti, W.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction.
Nat Commun, 14, 2023
8DWK
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BU of 8dwk by Molmil
Inhibitor-3:PP1 reconstituted complex
Descriptor: E3 ubiquitin-protein ligase PPP1R11, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Authors:Choy, M.S, Srivastava, G, Page, R, Peti, W.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction.
Nat Commun, 14, 2023
8DP3
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BU of 8dp3 by Molmil
Crystal structure of coxsackievirus B3 cloverleaf RNA replication element
Descriptor: Fab BL3-6 Heavy Chain, Fab BL3-6 Light Chain, PHOSPHATE ION, ...
Authors:Das, N.K, Koirala, D.
Deposit date:2022-07-14
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of a highly conserved enteroviral 5' cloverleaf RNA replication element.
Nat Commun, 14, 2023
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Chan, A.H, Simanshu, D.K.
Deposit date:2022-08-31
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
8DVX
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BU of 8dvx by Molmil
Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A
Descriptor: Cytochrome c, HEME C, HEXACYANOFERRATE(3-)
Authors:Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J.
Deposit date:2022-07-30
Release date:2023-07-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
8DZL
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BU of 8dzl by Molmil
Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A
Descriptor: Cytochrome c, somatic, HEME C
Authors:Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J.
Deposit date:2022-08-08
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
8E67
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BU of 8e67 by Molmil
ETV6 H396Y variant bound to DNA containing the sequence GGAT
Descriptor: Complementary 15 bp strand, GGAT-containing 15 bp DNA, Transcription factor ETV6
Authors:Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P.
Deposit date:2022-08-22
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The functional role of histidine within the ETV6 ETS domain
to be published
8E66
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BU of 8e66 by Molmil
ETV6 H396Y variant bound to DNA containing the sequence GGAA
Descriptor: CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ...
Authors:Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P.
Deposit date:2022-08-22
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The functional role of histidine within the ETV6 ETS domain
to be published
8EDF
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BU of 8edf by Molmil
Bovine Fab SKD in complex with Sars COV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKD Fab Light chain, SKD Fab heavy chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECZ
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BU of 8ecz by Molmil
Bovine Fab 4C1
Descriptor: 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECQ
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BU of 8ecq by Molmil
Bovine Fab 2G3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G3 Fab Heavy chain, 2G3 Fab Light chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECV
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BU of 8ecv by Molmil
Bovine Fab 2F12
Descriptor: 2F12 Fab Heavy chain, 2F12 Fab Light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ED1
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BU of 8ed1 by Molmil
Bovine Fab 5C1
Descriptor: 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EF4
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BU of 8ef4 by Molmil
Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
Descriptor: Bivalirudin
Authors:Mishra, S.H, Bhavaraju, S.
Deposit date:2022-09-08
Release date:2022-10-05
Method:SOLUTION NMR
Cite:Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
To Be Published
8F43
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BU of 8f43 by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2022-11-10
Release date:2022-12-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022

223790

数据于2024-08-14公开中

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