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8FF8
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CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
Descriptor: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Muckelbauer, J.K, Lewis, H.A.
Deposit date:2022-12-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
8FF7
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Cytosolic ascorbate peroxidase mutant from Panicum virgatum- ascorbate complex
Descriptor: ASCORBIC ACID, Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
8FF6
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BU of 8ff6 by Molmil
Cytosolic ascorbate peroxidase mutant from Panicum virgatum
Descriptor: Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
8FEN
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Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP and DHQ
Descriptor: (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Panicum virgatum Dihydroflavonol 4-Reductase
Authors:Lewis, J.A, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FEM
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Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP
Descriptor: Dihydroflavonol 4-Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lewis, J.A, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FEL
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BU of 8fel by Molmil
Langya Virus Fusion Protein (LayV-F) in Post-Fusion Conformation
Descriptor: Fusion Protein
Authors:May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
Deposit date:2022-12-06
Release date:2023-04-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Structures of Langya Virus Fusion Protein Ectodomain in Pre- and Postfusion Conformation.
J.Virol., 97, 2023
8FEJ
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BU of 8fej by Molmil
Langya Virus Fusion Protein (LayV-F) in Pre-Fusion Conformation
Descriptor: Fusion Protein
Authors:May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
Deposit date:2022-12-06
Release date:2023-04-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Structures of Langya Virus Fusion Protein Ectodomain in Pre- and Postfusion Conformation.
J.Virol., 97, 2023
8FEF
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Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEE
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Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
Descriptor: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-06
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE8
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BU of 8fe8 by Molmil
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
Descriptor: 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ...
Authors:Rumrill, S, Ruiz, F.X, Arnold, E.
Deposit date:2022-12-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
8FE5
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BU of 8fe5 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine B
Descriptor: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE1
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BU of 8fe1 by Molmil
Alpha1/BetaB Heteromeric Glycine Receptor in 1 mM Glycine 20 uM Ivermectin State
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gibbs, E, Chakrapani, S.
Deposit date:2022-12-05
Release date:2023-03-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational transitions and allosteric modulation in a heteromeric glycine receptor.
Nat Commun, 14, 2023
8FDW
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BU of 8fdw by Molmil
Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ...
Authors:Zhang, J, Shi, W, Cai, Y.F, Zhu, H.S, Peng, H.Q, Voyer, J, Volloch, S.R, Cao, H, Mayer, M.L, Song, K.K, Xu, C, Lu, J.M, Chen, B.
Deposit date:2022-12-05
Release date:2023-05-10
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane.
Nature, 619, 2023
8FDS
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BU of 8fds by Molmil
Ankyrin domain of SKD3 isoform 2
Descriptor: Caseinolytic peptidase B protein homolog, FORMIC ACID
Authors:Lee, S, Tsai, F.T.F, Chang, C.
Deposit date:2022-12-04
Release date:2023-04-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of impaired disaggregase function in the oxidation-sensitive SKD3 mutant causing 3-methylglutaconic aciduria.
Nat Commun, 14, 2023
8FDR
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BU of 8fdr by Molmil
Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ...
Authors:Ogbonna, E, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDQ
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BU of 8fdq by Molmil
An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogboona, E.N, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDP
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The native structure of a dodecamer: 5'-CGCAAATTTGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Ogbonna, E, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDO
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BU of 8fdo by Molmil
SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058
Descriptor: DH1058 Heavy chain, DH1058 Light chain, FP15
Authors:Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L.
Deposit date:2022-12-04
Release date:2023-10-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
8FDN
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BU of 8fdn by Molmil
Human Hemoglobin with N-tertbutylhydroxylamine
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDL
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BU of 8fdl by Molmil
Human Hemoglobin with Nitrosochloramphenicol
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDK
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Phenylhydroxylamine in Reaction with Human Hemoglobin
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023

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数据于2024-07-10公开中

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