5HAN
 
 | | Structure function studies of R. palustris RubisCO (S59F mutant; CABP-bound) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | | Authors: | Arbing, M.A, Leong, J.G, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R. | | Deposit date: | 2015-12-30 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure function studies of R. palustris RubisCO
To Be Published
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3CAW
 | | Crystal structure of o-succinylbenzoate synthase from Bdellovibrio bacteriovorus liganded with Mg | | Descriptor: | MAGNESIUM ION, o-succinylbenzoate synthase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-20 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5HJY
 | | Structure function studies of R. palustris RubisCO (I165T mutant; CABP-bound) | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. | | Deposit date: | 2016-01-13 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure function studies of R. palustris RubisCO.
To Be Published
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2H6Z
 | | Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2006-06-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
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5OR5
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8D4Z
 | | Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | | Descriptor: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Bell, J.A. | | Deposit date: | 2022-06-03 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
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6R01
 | | Streptomyces lividans Ccsp mutant - H107A/H111A | | Descriptor: | COPPER (I) ION, Cytosolic copper storage protein | | Authors: | Straw, M.L, Hough, M.A, Worrall, J.A. | | Deposit date: | 2019-03-12 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
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8F9Y
 | | SAL1 from Arabidopsis thaliana | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase | | Authors: | Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J. | | Deposit date: | 2022-11-24 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6DL2
 | | BRD4 bromodomain 1 in complex with HYB157 | | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-05-31 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
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6E1A
 | | Menin bound to M-89 | | Descriptor: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2018-07-09 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6EK6
 | | Crystal structure of KDM5B in complex with S49195a. | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-25 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of KDM5B in complex with S49195a.
To be published
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6EIN
 | | Crystal structure of KDM5B in complex with S49365a. | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of KDM5B in complex with S49365a.
To Be Published
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6ES0
 | | Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | | Descriptor: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6EIY
 | | Crystal structure of KDM5B in complex with KDOPZ000034a. | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ000034a.
to be published
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6EJ0
 | | Crystal structure of KDM5B in complex with KDOPZ000049a. | | Descriptor: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ000049a.
to be published
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6EIU
 | | Crystal structure of KDM5B in complex with KDOPZ29a | | Descriptor: | 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ29a.
to be published
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6EJ1
 | | Crystal structure of KDM5B in complex with KDOPZ48a. | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ48a.
to be published
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2JNE
 | | NMR structure of E.coli YfgJ modelled with two Zn+2 bound. Northeast Structural Genomics Consortium Target ER317. | | Descriptor: | Hypothetical protein yfgJ, ZINC ION | | Authors: | Ramelot, T.A, Cort, J.R, Yee, A.A, Semesi, A, Lukin, J.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-01-12 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | NMR structure of E.coli YfgJ bound to two Zn+2.
To be Published
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2HIJ
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2H70
 | | Crystal Structure of Thioredoxin Mutant D9E in Hexagonal (p61) Space Group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2006-06-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
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2HRO
 | | Structure of the full-lenght Enzyme I of the PTS system from Staphylococcus carnosus | | Descriptor: | Phosphoenolpyruvate-protein phosphotransferase, SULFATE ION | | Authors: | Marquez, J.A, Reinelt, S, Koch, B, Engelman, R, Hengstenberg, W, Scheffzek, K. | | Deposit date: | 2006-07-20 | | Release date: | 2006-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the full-length enzyme I of the phosphoenolpyruvate-dependent sugar phosphotransferase system
J.Biol.Chem., 281, 2006
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2LTT
 | | Solution NMR Structure of YdbC:dT19G1 complex. Northeast Structural Genomics Consortium (NESG) Target KR150 | | Descriptor: | DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Putative uncharacterized protein ydbC | | Authors: | Rossi, P, Barbieri, C.M, Aramini, J.A, Bini, E, Lee, H, Janjua, H, Ciccosanti, C, Wang, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-05-31 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of apo- and ssDNA-bound YdbC from Lactococcus lactis uncover the function of protein domain family DUF2128 and expand the single-stranded DNA-binding domain proteome.
Nucleic Acids Res., 41, 2013
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2JO6
 | | NMR structure of the E.coli protein NirD, Northeast Structural Genomics target ET100 | | Descriptor: | Nitrite reductase [NAD(P)H] small subunit | | Authors: | Ramelot, T.A, Cort, J.R, Yee, A.A, Guido, V, Lukin, J.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-27 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structure of E.coli NirD.
To be Published
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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