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8D7O
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BU of 8d7o by Molmil
Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein homolog 2 peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
8D7P
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BU of 8d7p by Molmil
Human Casein kinase 1 delta in complex with phosphorylated Drosophila PERIOD peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
8D7N
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BU of 8d7n by Molmil
Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide
Descriptor: Casein kinase I isoform delta, Period circadian protein homolog 2 peptide
Authors:Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L.
Deposit date:2022-06-07
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
1Z1N
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BU of 1z1n by Molmil
Crystal Structure of the sixteen heme cytochrome from Desulfovibrio gigas
Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, HEME C, ...
Authors:Santos-Silva, T, Dias, J.M, Romao, M.J.
Deposit date:2005-03-04
Release date:2006-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the sixteen heme cytochrome from Desulfovibrio gigas
to be published
8CXC
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BU of 8cxc by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-20
Release date:2023-06-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.31 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8DGN
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BU of 8dgn by Molmil
14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide
Descriptor: 14-3-3 protein epsilon, Phosphorylated PEAK2 (pS826) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8CYH
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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
1Z5C
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BU of 1z5c by Molmil
Topoisomerase VI-B, ADP Pi bound dimer form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Corbett, K.D, Berger, J.M.
Deposit date:2005-03-17
Release date:2005-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural dissection of ATP turnover in the prototypical GHL ATPase TopoVI.
Structure, 13, 2005
8DGO
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BU of 8dgo by Molmil
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
Descriptor: Growth factor receptor bound protein 2, Phosphorylated PEAK3 (pY24) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
1Z71
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BU of 1z71 by Molmil
thrombin and P2 pyridine N-oxide inhibitor complex structure
Descriptor: Hirudin IIIB', L17, thrombin
Authors:Nantermet, P.G, Burgey, C.S, Robinson, K.A, Pellicore, J.M, Newton, C.L, Deng, J.Z, Lyle, T.A, Selnick, H.G, Lewis, S.D, Lucas, B.J, Krueger, J.A, Miller-Stein, C, White, R.B, Wong, B, McMasters, D.R, Wallace, A.A, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.
Deposit date:2005-03-23
Release date:2005-05-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:P(2) pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold
BIOORG.MED.CHEM.LETT., 15, 2005
8CZ8
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BU of 8cz8 by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: Mesothelin, cleaved form, SULFATE ION, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
1Z79
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BU of 1z79 by Molmil
Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5)
Descriptor: CALCIUM ION, RNA 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-03-24
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
8DGP
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BU of 8dgp by Molmil
14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ...
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
1YY0
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BU of 1yy0 by Molmil
Crystal structure of an RNA duplex containing a 2'-amine substitution and a 2'-amide product produced by in-crystal acylation at a C-A mismatch
Descriptor: 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', 5'-R(*GP*CP*AP*GP*AP*(M5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', CALCIUM ION
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-02-23
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1Z7Y
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BU of 1z7y by Molmil
Crystal Structure of the Arabidopsis thaliana O-Acetylserine Sulfhydrylase K46A mutant
Descriptor: Cysteine synthase, N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLENE]METHIONINE
Authors:Bonner, E.R, Cahoon, R.E, Knapke, S.M, Jez, J.M.
Deposit date:2005-03-28
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Basis of Cysteine Biosynthesis in Plants: STRUCTURAL AND FUNCTIONAL ANALYSIS OF O-ACETYLSERINE SULFHYDRYLASE FROM ARABIDOPSIS THALIANA.
J.Biol.Chem., 280, 2005
1ZG2
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BU of 1zg2 by Molmil
Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2.
Descriptor: Hypothetical UPF0213 protein BH0048
Authors:Aramini, J.M, Swapna, G.V.T, Xiao, R, Ma, L, Shastry, R, Ciano, M, Acton, T.B, Liu, J, Rost, B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-04-20
Release date:2005-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2.
To be Published
2A8V
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BU of 2a8v by Molmil
RHO TRANSCRIPTION TERMINATION FACTOR/RNA COMPLEX
Descriptor: 5'-R(P*CP*CP*C)-3', 5'-R(P*CP*CP*CP*CP*CP*C)-3', RNA BINDING DOMAIN OF RHO TRANSCRIPTION TERMINATION FACTOR
Authors:Bogden, C.E, Fass, D, Bergman, N, Nichols, M.D, Berger, J.M.
Deposit date:1998-11-08
Release date:1999-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structural basis for terminator recognition by the Rho transcription termination factor.
Mol.Cell, 3, 1999
2AB5
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BU of 2ab5 by Molmil
bI3 LAGLIDADG Maturase
Descriptor: SULFATE ION, mRNA maturase
Authors:Longo, A, Leonard, C.W, Bassi, G.S, Berndt, D, Krahn, J.M, Hall, T.M, Weeks, K.M.
Deposit date:2005-07-14
Release date:2005-08-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution from DNA to RNA recognition by the bI3 LAGLIDADG maturase
Nat.Struct.Mol.Biol., 12, 2005
2A8H
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BU of 2a8h by Molmil
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
Descriptor: 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
Authors:Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S.
Deposit date:2005-07-08
Release date:2006-02-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16, 2006
1ZXQ
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BU of 1zxq by Molmil
THE CRYSTAL STRUCTURE OF ICAM-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, INTERCELLULAR ADHESION MOLECULE-2
Authors:Casasnovas, J.M, Springer, T.A, Harrison, S.C, Wang, J.-H.
Deposit date:1997-03-04
Release date:1997-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of ICAM-2 reveals a distinctive integrin recognition surface.
Nature, 387, 1997
8E9N
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BU of 8e9n by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIY in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9M
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BU of 8e9m by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT bound to maleic acid at 278 K
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9L
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BU of 8e9l by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9R
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BU of 8e9r by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
Deposit date:2022-08-26
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023

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