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7MCD
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BU of 7mcd by Molmil
Crystal structure of an AI-designed TIM-barrel F15C
Descriptor: AI-designed TIM-barrel F15C
Authors:Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.
Deposit date:2021-04-02
Release date:2022-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein sequence design with a learned potential.
Nat Commun, 13, 2022
7MSQ
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BU of 7msq by Molmil
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
Descriptor: AB-3467 Fab Heavy Chain, AB-3467 Fab Light Chain, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2021-05-12
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Immunizations with diverse sarbecovirus receptor-binding domains elicit SARS-CoV-2 neutralizing antibodies against a conserved site of vulnerability.
Immunity, 54, 2021
7MLP
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BU of 7mlp by Molmil
Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MLN
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BU of 7mln by Molmil
Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid
Descriptor: 5-(2-methylphenyl)thiophene-2-carboxylic acid, GLYCEROL, Ricin
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
6XRB
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BU of 6xrb by Molmil
Crystal structure of SciW from Salmonella typhimurium
Descriptor: SciW, TRIETHYLENE GLYCOL
Authors:Sachar, K, Ahmad, S, Whitney, J.C, Prehna, G.
Deposit date:2020-07-11
Release date:2020-12-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones.
Elife, 9, 2020
4G0Y
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BU of 4g0y by Molmil
Crystal structure of Arabidopsis AGO1 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Protein argonaute 1
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-10
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
3UQ9
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BU of 3uq9 by Molmil
Adenosine kinase from Schistosoma mansoni in complex with tubercidin
Descriptor: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, putative, ...
Authors:Romanello, L, Cassago, A, Bachega, F.R, Garatt, R.C, DeMarco, R, Pereira, H.M.
Deposit date:2011-11-19
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
6HV0
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BU of 6hv0 by Molmil
IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33
Descriptor: 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Bayliss, R, Bhatia, C, Collins, I.
Deposit date:2018-10-09
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
7MLO
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BU of 7mlo by Molmil
Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MLT
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BU of 7mlt by Molmil
Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-(2-ethylphenyl)thiophene-2-carboxylic acid, CHLORIDE ION, ...
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
6X74
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BU of 6x74 by Molmil
Rev1 Mg2+-facilitated Product Complex with no monophosphates
Descriptor: CHLORIDE ION, DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*)-3'), DNA (5'-D(P*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ...
Authors:Weaver, T.M, Freudenthal, B.D.
Deposit date:2020-05-29
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Visualizing Rev1 catalyze protein-template DNA synthesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X7D
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BU of 6x7d by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SF2523P
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-29
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
1MVW
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BU of 1mvw by Molmil
MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE
Descriptor: RABBIT SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL; LIGHT CHAIN, ...
Authors:Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A.
Deposit date:2002-09-26
Release date:2002-11-20
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (70 Å)
Cite:Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.STRUCT.BIOL., 138, 2002
7MDJ
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BU of 7mdj by Molmil
The structure of KcsA in complex with a synthetic Fab
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Rohaim, A, Slezak, T, Blackowicz, L, Kossiakoff, A, Roux, B.
Deposit date:2021-04-05
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Engineering of a synthetic antibody fragment for structural and functional studies of K+ channels.
J.Gen.Physiol., 154, 2022
3GPL
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BU of 3gpl by Molmil
Crystal structure of the ternary complex of RecD2 with DNA and ADPNP
Descriptor: 5'-D(*T*TP*TP*TP*TP*TP*TP*T)-3', Exodeoxyribonuclease V, subunit RecD, ...
Authors:Saikrishnan, K, Cook, N, Wigley, D.B.
Deposit date:2009-03-23
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic basis of 5'-3' translocation in SF1B helicases.
Cell(Cambridge,Mass.), 137, 2009
5KBK
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BU of 5kbk by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant
Descriptor: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
Authors:Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
Deposit date:2016-06-03
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.411 Å)
Cite:The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
7MOJ
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BU of 7moj by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with a metaphosphate intermediate
Descriptor: PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOF
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BU of 7mof by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 6-diphosphoinositol 1,2,3,4,5-pentakisphosphate 6-InsP7
Descriptor: (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, INOSITOL HEXAKISPHOSPHATE, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOM
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BU of 7mom by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with a metaphosphate intermediate
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOE
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BU of 7moe by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1)Cys150Ser in complex with 5-diphosphoinositol 1,2,3,4,6-pentakisphosphate (5-InsP7)
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOK
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BU of 7mok by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in Complex with Phosphate in Conformation A (Pi(A))
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6XGX
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BU of 6xgx by Molmil
ISCth4 transposase, strand transfer complex 1, STC1
Descriptor: DNA (21-MER), DNA (25-MER), DNA (47-MER), ...
Authors:Kosek, D, Dyda, F.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition.
Embo J., 40, 2021
7MOI
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BU of 7moi by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with Phenyl Phosphate
Descriptor: PHENYL DIHYDROGEN PHOSPHATE, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOL
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BU of 7mol by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with phosphate in conformation B (Pi(B))
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOG
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BU of 7mog by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-PCF2 Am-InsP5, an analogue of 5-InsP7
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022

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