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Legacy flatfile-incompatible PDB entries
9C8J
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BU of 9c8j by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: AmpC Beta-lactamase, N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
Authors:Liu, F, Shoichet, B.K.
Deposit date:2024-06-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
9CAI
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BU of 9cai by Molmil
High-resolution C. elegans 80S ribosome structure - class 2
Descriptor: 18S rRNA, 28S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Sehgal, E, Serrao, V.H.B, Arribere, J.
Deposit date:2024-06-17
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:High-Resolution Reconstruction of a C. elegans Ribosome Sheds Light on Evolutionary Dynamics and Tissue Specificity.
Rna, 2024
9CBF
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminomethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design, Synthesis and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To Be Published
9CBG
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminoethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9CBH
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminomethyl Phenylthioketone
Descriptor: 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9CBI
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BU of 9cbi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminoethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9CBJ
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminopropyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(3-aminopropyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9CBK
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Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ...
Authors:Goulart Stollmaier, J, Watson, P.R, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9CC9
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BU of 9cc9 by Molmil
Dodecameric state of the NRC4 resistosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4
Authors:Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J.
Deposit date:2024-06-21
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Activation of the helper NRC4 immune receptor forms a hexameric resistosome.
Cell, 2024
9CGM
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BU of 9cgm by Molmil
The Structure of Spiroplasma Virus 4
Descriptor: Capsid protein VP1, DNA binding protein ORF8
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-06-30
Release date:2024-07-17
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae.
Viruses, 16, 2024
9CIW
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BU of 9ciw by Molmil
Penguinpox cGAMP PDE H72A mutant in complex with 2'3'-cGAMP
Descriptor: Penguinpox cGAMP PDE, [(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Authors:Hobbs, S.J, Nomburg, J, Doudna, J.A, Kranzusch, P.J.
Deposit date:2024-07-05
Release date:2024-09-04
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Animal and bacterial viruses share conserved mechanisms of immune evasion.
Cell, 2024
9CL9
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WT 12C IM fraction, B-b3 with RluB bound
Descriptor: 23S rRNA, Large ribosomal subunit protein bL20, Large ribosomal subunit protein bL21, ...
Authors:Lee, J, Sheng, K, Williamson, J.R.
Deposit date:2024-07-10
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (5.04 Å)
Cite:50S ribosome assembly intermediates at low temperature reveal bound RluB
To Be Published
9CMZ
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Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor KG2-051
Descriptor: (4-{[5-chloro-4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, CHLORIDE ION, Protein kinase 6, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-07-15
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor KG2-051
To be published
9CPG
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Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1
Descriptor: 4-carbamimidamidophenyl 4-carbamimidamidobenzoate, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3')
Authors:Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L.
Deposit date:2024-07-18
Release date:2024-08-07
Method:SOLUTION NMR
Cite:Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
9CPI
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BU of 9cpi by Molmil
Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1
Descriptor: 4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3')
Authors:Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L.
Deposit date:2024-07-18
Release date:2024-08-07
Last modified:2024-08-14
Method:SOLUTION NMR
Cite:NMR structures of small molecules bound to a model of a CUG RNA repeat expansion.
Bioorg.Med.Chem.Lett., 111, 2024
9CSG
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BU of 9csg by Molmil
Human Serum Albumin Bound to Cerastecin Compound 5e
Descriptor: 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID
Authors:Hruza, A, Klein, D.J, Ishchenko, A.
Deposit date:2024-07-23
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
9CSI
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BU of 9csi by Molmil
A. baumannii MsbA Bound to Cerastecin Compound 5
Descriptor: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
Authors:Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
Deposit date:2024-07-23
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
9CTH
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BU of 9cth by Molmil
Preliminary map of the Prothrombin-prothrombinase complex on nano discs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated Factor V (FVa) heavy chain, Activated Factor V (FVa) light chain, ...
Authors:Stojanovski, B.M, Mohammed, B.M, Di Cera, E.
Deposit date:2024-07-25
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (6.47 Å)
Cite:The Prothrombin-Prothrombinase Interaction.
Subcell Biochem, 104, 2024
9CUO
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Crystal structure of CRBN with compound 3
Descriptor: (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, Protein cereblon, ...
Authors:Zheng, X, Ji, N, Campbell, V, Slavin, A, Zhu, X, Chen, D, Rong, H, Enerson, B, Mayo, M, Sharma, K, Browne, C.M, Klaus, C.R, Li, H, Massa, G, McDonald, A.A, Shi, Y, Sintchak, M, Skouras, S, Walther, D.M, Yuan, K, Zhang, Y, Kelleher, J, Guang, L, Luo, X, Mainolfi, N, Weiss, M.M.
Deposit date:2024-07-26
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases.
J.Med.Chem., 2024
9CV0
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Bufavirus 1 at pH 7.4
Descriptor: VP1
Authors:Gulkis, M.C, McKenna, R, Bennett, A.D.
Deposit date:2024-07-27
Release date:2024-08-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes.
Viruses, 16, 2024
9CV9
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BU of 9cv9 by Molmil
Bufavirus 1 at pH 4.0
Descriptor: VP1
Authors:Gulkis, M.C, McKenna, R, Bennett, A.D.
Deposit date:2024-07-28
Release date:2024-08-28
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes.
Viruses, 16, 2024
9CWS
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Bufavirus 1 at pH 2.6
Descriptor: VP1
Authors:Gulkis, M.C, McKenna, R, Bennett, A.D.
Deposit date:2024-07-30
Release date:2024-08-21
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes.
Viruses, 16, 2024
9D3E
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Cryo-EM structure of CCR6 bound by SQA1 and OXM2
Descriptor: 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CHOLESTEROL, Human CCR6, ...
Authors:Wasilko, D.J, Wu, H.
Deposit date:2024-08-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
9D3G
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Cryo-EM structure of CCR6 bound by SQA1 and OXM1
Descriptor: 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide, 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CCR6, ...
Authors:Wasilko, D.J, Wu, H.
Deposit date:2024-08-10
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
9D5D
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BU of 9d5d by Molmil
Crystal Structure of Blood Coagulation Factor VIII C2 Domain Mutant L2251A/L2252A
Descriptor: Factor VIIIa light chain
Authors:Avery, N.G, Childers, K.C, Spiegel, P.C.
Deposit date:2024-08-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biophysical characterization of blood coagulation factor VIII binding to lipid nanodiscs that mimic activated platelet surfaces
To Be Published

224931

数据于2024-09-11公开中

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