7UYQ
 
 | | Structure of GTP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination | | Descriptor: | Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
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7UYZ
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | | Descriptor: | Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
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8DVG
 | | Structure of KRAS WT(7-16)-HLA-A*03:01 | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ... | | Authors: | Wright, K.M, Miller, M, Gabelli, S.B. | | Deposit date: | 2022-07-28 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
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6UUF
 | | 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
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6BUU
 | | Crystal structure of AKT1 (aa 144-480) with a bisubstrate | | Descriptor: | GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | Authors: | Chu, N, Gabelli, S.B, Cole, P.A. | | Deposit date: | 2017-12-11 | | Release date: | 2018-08-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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6VO7
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7UZR
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, Palindromic DNA18, ... | | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | | Deposit date: | 2022-05-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
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3CCN
 | | X-ray structure of c-Met with triazolopyridazine inhibitor. | | Descriptor: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | | Authors: | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | | Deposit date: | 2008-02-26 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
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5HM0
 | | Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3 | | Descriptor: | 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4 | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
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5DBM
 | | Crystal structure of the CBP bromodomain in complex with CPI703 | | Descriptor: | (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein | | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | | Deposit date: | 2015-08-21 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
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5HLS
 | | Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610 | | Descriptor: | Bromodomain-containing protein 4, CPI-0610 | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
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3O52
 | | Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate | | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-27 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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6TSA
 | | Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 30 minutes | | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | | Deposit date: | 2019-12-20 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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6TRZ
 | | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 15 minutes | | Descriptor: | CADMIUM ION, CHLORIDE ION, FE (III) ION, ... | | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | | Deposit date: | 2019-12-19 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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6TSF
 | | Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 60 minutes | | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | | Deposit date: | 2019-12-20 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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5I89
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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5I83
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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3O61
 | | Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with GDP-mannose and Mg++ | | Descriptor: | CHLORIDE ION, GDP-mannose pyrophosphatase nudK, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-28 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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5I29
 | | TAF1(2) bound to a pyrrolopyridone compound | | Descriptor: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Poy, F, Bellon, S.F. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5I8U
 | | Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant | | Descriptor: | ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
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1KZG
 | | DbsCdc42(Y889F) | | Descriptor: | CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS | | Authors: | Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J. | | Deposit date: | 2002-02-06 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange.
EMBO J., 21, 2002
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1KZ7
 | | Crystal Structure of the DH/PH Fragment of Murine Dbs in Complex with the Placental Isoform of Human Cdc42 | | Descriptor: | CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS | | Authors: | Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J. | | Deposit date: | 2002-02-06 | | Release date: | 2002-03-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange.
EMBO J., 21, 2002
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7UTT
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5I1Q
 | | Second bromodomain of TAF1 bound to a pyrrolopyridone compound | | Descriptor: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Poy, F, Bellon, S.F. | | Deposit date: | 2016-01-09 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5I86
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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