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6UJ7
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BU of 6uj7 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UUF
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BU of 6uuf by Molmil
Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU
Descriptor: Nudix Hydrolase, RenU
Authors:Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B.
Deposit date:2019-10-30
Release date:2021-05-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RenU
To Be Published
6VJC
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BU of 6vjc by Molmil
LmFPPS mutant T164Y in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-01-15
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6WBH
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BU of 6wbh by Molmil
Crystal structure of mRECK(CC4) in fusion with engineered MBP at medium resolution
Descriptor: CHLORIDE ION, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, ZINC ION, ...
Authors:Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WBJ
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BU of 6wbj by Molmil
High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP
Descriptor: GLYCEROL, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, SULFATE ION, ...
Authors:Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J.
Deposit date:2020-03-26
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structure of the RECK CC domain, an evolutionary anomaly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W7I
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BU of 6w7i by Molmil
LmFPPS mutant T164W in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-03-19
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
Authors:Wright, K.M, Gabelli, S.B.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
6WW1
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BU of 6ww1 by Molmil
Crystal structure of the LmFPPS mutant E97Y
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Gabelli, S.B.
Deposit date:2020-05-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
5TJ8
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BU of 5tj8 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed)
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
Descriptor: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJQ
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BU of 5tjq by Molmil
Structure of WWP2 2,3-linker-HECT
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-04
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5W6Z
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BU of 5w6z by Molmil
Crystal structure of the H24W mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5W6X
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BU of 5w6x by Molmil
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
Descriptor: ACETIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5VY2
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BU of 5vy2 by Molmil
Crystal structure of the F36A mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-05-24
Release date:2018-11-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5WJI
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BU of 5wji by Molmil
Crystal structure of the F61S mutant of HsNUDT16
Descriptor: ACETIC ACID, CHLORIDE ION, SULFATE ION, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-07-23
Release date:2018-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5WJA
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BU of 5wja by Molmil
Crystal structure of H107A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate
Descriptor: CITRATE ANION, COPPER (II) ION, GLYCEROL, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-21
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5WKW
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BU of 5wkw by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-25
Release date:2018-07-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5WM0
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BU of 5wm0 by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed)
Descriptor: Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-07-28
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
4JZB
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BU of 4jzb by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+
Descriptor: 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.
Deposit date:2013-04-02
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-03
Release date:2014-03-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4K10
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BU of 4k10 by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM and Mg2+
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-04
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
3FZD
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BU of 3fzd by Molmil
Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro
Descriptor: 3C-like proteinase
Authors:Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E.
Deposit date:2009-01-25
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
7JTX
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BU of 7jtx by Molmil
the structural basis of PTEN regulation by multi-site phosphorylation
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
Authors:Park, E, Dempsey, D.R, Cole, P.
Deposit date:2020-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
1S78
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BU of 1s78 by Molmil
Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ...
Authors:Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X.
Deposit date:2004-01-29
Release date:2004-04-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004

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