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2XUQ
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BU of 2xuq by Molmil
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI-SYN inhibitors
Descriptor: 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-20
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
2XUD
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Crystal structure of the Y337A mutant of mouse acetylcholinesterase
Descriptor: ACETATE ION, ACETYLCHOLINESTERASE, DECAMETHONIUM ION, ...
Authors:Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
Deposit date:2010-10-19
Release date:2010-12-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
8B0Y
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BU of 8b0y by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A co-expression (T = 3)
Descriptor: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-08
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
8B12
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BU of 8b12 by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 9)
Descriptor: Carboxysome assembly protein CsoS2B, Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-09
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (1.86 Å)
Cite:Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
8B11
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BU of 8b11 by Molmil
cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 4)
Descriptor: Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A
Authors:Ni, T, Jiang, Q, Liu, L.N, Zhang, P.
Deposit date:2022-09-08
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly.
Nat Commun, 14, 2023
4N78
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BU of 4n78 by Molmil
The WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton
Descriptor: Abl interactor 2, CHLORIDE ION, Cytoplasmic FMR1-interacting protein 1, ...
Authors:Chen, Z.C.
Deposit date:2013-10-15
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton.
Cell(Cambridge,Mass.), 156, 2014
7ZBT
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BU of 7zbt by Molmil
Subtomogram averaging of Rubisco from native Halothiobacillus carboxysomes
Descriptor: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small subunit
Authors:Ni, T, Zhu, Y, Yu, X, Sun, Y, Liu, L, Zhang, P.
Deposit date:2022-03-24
Release date:2022-07-20
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and assembly of cargo Rubisco in two native alpha-carboxysomes.
Nat Commun, 13, 2022
2XHB
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BU of 2xhb by Molmil
Crystal structure of DNA polymerase from Thermococcus gorgonarius in complex with hypoxanthine-containing DNA
Descriptor: 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*A)-3', DNA POLYMERASE, HYPOXANTHINE-CONTAINING DNA, ...
Authors:Killelea, T, Ghosh, S, Tan, S.S, Heslop, P, Firbank, S.J, Kool, E.T, Connolly, B.A.
Deposit date:2010-06-14
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Probing the Interaction of Archaeal DNA Polymerases with Deaminated Bases Using X-Ray Crystallography and Non-Hydrogen Bonding Isosteric Base Analogues.
Biochemistry, 49, 2010
7YUY
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BU of 7yuy by Molmil
Structure of a mutated membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-08-18
Release date:2023-03-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
2Z8Y
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BU of 2z8y by Molmil
Xenon-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase(CODH/ACS) from Moorella thermoacetica
Descriptor: COPPER (I) ION, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit alpha, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit beta, ...
Authors:Doukov, T.I, Blasiak, L.C, Drennan, C.L.
Deposit date:2007-09-12
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Biochemistry, 47, 2008
2YUP
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BU of 2yup by Molmil
Solution structure of the second SH3 domain of human Vinexin
Descriptor: Vinexin
Authors:Abe, H, Tochio, N, Miyamoto, K, Saito, K, Sasagawa, A, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the second SH3 domain of human Vinexin
To be Published
2ZL1
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BU of 2zl1 by Molmil
MP1-p14 Scaffolding complex
Descriptor: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
Authors:Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
Deposit date:2008-04-02
Release date:2008-06-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
3Q0T
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BU of 3q0t by Molmil
Crystal structure of human dpp-iv in complex withsa-(+)- methyl2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl- 7-oxo-5h-pyrrolo[3,4-b]pyridin-6(7h)-yl)acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Klei, H.E.
Deposit date:2010-12-16
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Discovery of 7-oxo-pyrrolopyridines as potent and selective inhibitors of dpp4
To be Published
4PY5
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BU of 4py5 by Molmil
Thermovibrio ammonificans RNase H3 in complex with 19-mer RNA/DNA
Descriptor: 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*C)-3', 5'-R(*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3', GLYCEROL, ...
Authors:Figiel, M, Nowotny, M.
Deposit date:2014-03-26
Release date:2014-07-30
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of RNase H3-substrate complex reveals parallel evolution of RNA/DNA hybrid recognition.
Nucleic Acids Res., 42, 2014
3A62
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BU of 3a62 by Molmil
Crystal structure of phosphorylated p70S6K1
Descriptor: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3QG2
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BU of 3qg2 by Molmil
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yuvaniyama, J, Taweechai, S, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2011-01-24
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Trypanosomal dihydrofolate reductase reveals natural antifolate resistance
Acs Chem.Biol., 6, 2011
3QBJ
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BU of 3qbj by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
Descriptor: 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, S.P.
Deposit date:2011-01-13
Release date:2012-01-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
To be Published
3AMA
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BU of 3ama by Molmil
Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A.
Deposit date:2010-08-18
Release date:2011-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
3R6N
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BU of 3r6n by Molmil
Crystal structure of a rigid four spectrin repeat fragment of the human desmoplakin plakin domain
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Desmoplakin
Authors:Choi, H.-J, Weis, W.I.
Deposit date:2011-03-22
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of a rigid four-spectrin-repeat fragment of the human desmoplakin plakin domain.
J.Mol.Biol., 409, 2011
315D
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BU of 315d by Molmil
CRYSTAL STRUCTURE OF AN ALTERNATING OCTAMER R(GUAUGUA)D(C) WITH ADJACENT G-U WOBBLE PAIRS
Descriptor: DNA/RNA (5'-R(*GP*UP*AP*UP*GP*UP*AP*)-D(*C)-3')
Authors:Biswas, R, Wahl, M.C, Ban, C, Sundaralingam, M.
Deposit date:1997-02-26
Release date:1997-09-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of an alternating octamer r(GUAUGUA)dC with adjacent G x U wobble pairs
J.Mol.Biol., 267, 1997
3A61
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BU of 3a61 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form II)
Descriptor: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3AU3
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BU of 3au3 by Molmil
Crystal structure of armadillo repeat domain of APC
Descriptor: Adenomatous polyposis coli protein
Authors:Murayama, K, Kato-Murayama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-01-28
Release date:2011-11-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the armadillo repeat domain of adenomatous polyposis coli and its complex with the tyrosine-rich domain of sam68
Structure, 19, 2011
3RJR
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BU of 3rjr by Molmil
Crystal Structure of pro-TGF beta 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1
Authors:Zhu, J.H, Shi, M.L, Springer, T.A.
Deposit date:2011-04-15
Release date:2011-06-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Latent TGF-Beta structure and activation
Nature, 474, 2011
4O22
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BU of 4o22 by Molmil
Binary complex of metal-free PKAc with SP20.
Descriptor: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
Authors:Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
Deposit date:2013-12-16
Release date:2014-05-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4NTS
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BU of 4nts by Molmil
Apo structure of the catalytic subunit of cAMP-dependent protein kinase
Descriptor: MYRISTIC ACID, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Bastidas, A.C, Wu, J, Taylor, S.S.
Deposit date:2013-12-02
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Features of Product Release for the PKA Catalytic Cycle.
Biochemistry, 54, 2015

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