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4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-28
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
6U6T
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BU of 6u6t by Molmil
Neuronal growth regulator 1 (NEGR1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ...
Authors:Machius, M, Venkannagari, H, Misra, A, Rudenko, G.
Deposit date:2019-08-30
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
7LGD
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BU of 7lgd by Molmil
HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113
Descriptor: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-20
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7LGT
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BU of 7lgt by Molmil
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
Descriptor: BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-21
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-18
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2Q5E
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BU of 2q5e by Molmil
Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
Descriptor: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
1RXD
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BU of 1rxd by Molmil
Crystal structure of human protein tyrosine phosphatase 4A1
Descriptor: protein tyrosine phosphatase type IVA, member 1; Protein tyrosine phosphatase IVA1
Authors:Sun, J.P, Fedorov, A.A, Almo, S.C, Zhang, Z.Y, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-12-18
Release date:2004-12-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
8RVE
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BU of 8rve by Molmil
Vimentin intermediate filament
Descriptor: Vimentin
Authors:Eibauer, M, Medalia, O.
Deposit date:2024-02-01
Release date:2024-04-10
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Vimentin filaments integrate low-complexity domains in a complex helical structure.
Nat.Struct.Mol.Biol., 31, 2024
8TU6
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BU of 8tu6 by Molmil
CryoEM structure of PI3Kalpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Valverde, R, Shi, H, Holliday, M.
Deposit date:2023-08-15
Release date:2023-11-15
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSB
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BU of 8tsb by Molmil
Human PI3K p85alpha/p110alpha bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS8
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BU of 8ts8 by Molmil
p85alpha/p110alpha heterodimer H1047R mutant
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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BU of 8tsd by Molmil
Human PI3K p85alpha/p110alpha bound to RLY-2608
Descriptor: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS7
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BU of 8ts7 by Molmil
Human PI3K p85alpha/p110alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS9
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BU of 8ts9 by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 1
Descriptor: 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSC
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BU of 8tsc by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 3
Descriptor: (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
2HHL
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BU of 2hhl by Molmil
Crystal structure of the human small CTD phosphatase 3 isoform 1
Descriptor: 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein
Authors:Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-28
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
1GGQ
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BU of 1ggq by Molmil
OUTER SURFACE PROTEIN C (OSPC) OF BORRELIA BURGDORFERI STRAIN B31
Descriptor: MAGNESIUM ION, OUTER SURFACE PROTEIN C
Authors:Dunn, J.J, Lawson, C.L.
Deposit date:2000-09-14
Release date:2001-03-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of outer surface protein C (OspC) from the Lyme disease spirochete, Borrelia burgdorferi.
EMBO J., 20, 2001
4J3Y
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BU of 4j3y by Molmil
Crystal structure of XIAP-BIR2 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J48
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BU of 4j48 by Molmil
Crystal structure of XIAP-BIR2 domain with AMRV bound
Descriptor: E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ...
Authors:Gosu, R.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J46
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BU of 4j46 by Molmil
Crystal structure of XIAP-BIR2 domain with AVPI bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-VAL-PRO-ILE), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J44
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BU of 4j44 by Molmil
Crystal structure of XIAP-BIR2 domain with AIAV bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-ILE-ALA-VAL), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
2FH7
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BU of 2fh7 by Molmil
Crystal structure of the phosphatase domains of human PTP SIGMA
Descriptor: Receptor-type tyrosine-protein phosphatase S
Authors:Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-12-23
Release date:2006-01-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
4J47
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BU of 4j47 by Molmil
Crystal structure of XIAP-BIR2 domain with SVPI bound
Descriptor: E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
3JTY
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BU of 3jty by Molmil
Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5
Descriptor: BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-14
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010

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