7C60
 
 | | Crystal structure of Keap1 in complex with monoethyl fumarate (MEF) | | Descriptor: | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G. | | Deposit date: | 2020-05-21 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
|
|
1KP0
 | |
7D8C
 | | Crystal structure of the Cas12i1-crRNA binary complex | | Descriptor: | 12i1, CITRIC ACID, RNA (3-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2020-10-07 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
|
|
7D2L
 | | Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | | Descriptor: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2020-09-16 | | Release date: | 2021-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
|
|
7D3J
 | | Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage | | Descriptor: | 12i1-WT, CITRIC ACID, DNA (23-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2020-09-19 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
|
|
1XWV
 | | Structure of the house dust mite allergen Der f 2: Implications for function and molecular basis of IgE cross-reactivity | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Der f II | | Authors: | Johannessen, B.R, Skov, L.K, Kastrup, J.S, Kristensen, O, Bolwig, C, Larsen, J.N, Spangfort, M, Lund, K, Gajhede, M. | | Deposit date: | 2004-11-02 | | Release date: | 2004-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of the house dust mite allergen Der f 2: implications for function and molecular basis of IgE cross-reactivity.
Febs Lett., 579, 2005
|
|
8BUZ
 | | Structure of Adenylyl cyclase 8 bound to stimulatory G-protein, Ca2+/Calmodulin, Forskolin and MANT-GTP | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 8, FORSKOLIN, ... | | Authors: | Khanppnavar, B, Korkhov, V.M, Mehta, V. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Regulatory sites of CaM-sensitive adenylyl cyclase AC8 revealed by cryo-EM and structural proteomics.
Embo Rep., 25, 2024
|
|
8BV5
 | | Focus refinement of soluble domain of Adenylyl cyclase 8 bound to stimulatory G protein, Forskolin, ATPalphaS, and Ca2+/Calmodulin in lipid nanodisc conditions | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 8, FORSKOLIN, ... | | Authors: | Khanppnavar, B, Korkhov, V.M. | | Deposit date: | 2023-01-04 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Regulatory sites of CaM-sensitive adenylyl cyclase AC8 revealed by cryo-EM and structural proteomics.
Embo Rep., 25, 2024
|
|
5I95
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
|
|
6LRZ
 | | Crystal structure of Keap1 in complex with dimethyl fumarate (DMF) | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ... | | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P. | | Deposit date: | 2020-01-16 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
|
|
7XX3
 | | Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB) | | Descriptor: | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Padmanabhan, B, Unni, S. | | Deposit date: | 2022-05-28 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phialomustin-B a fungal metabolite isolated from Phialophora mustea modulates Superoxide Dismutase 1 (SOD1) aggregation: Therapeutic potential in Amyotrophic lateral sclerosis (ALS)
To Be Published
|
|
2ZG6
 | |
2YXD
 | |
7ENV
 | | crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1). | | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-19 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
|
|
7ENZ
 | | Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2). | | Descriptor: | Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
|
|
7EO5
 | | Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2 | | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
|
|
4QLO
 | |
2YXH
 | |
4B2D
 | | human PKM2 with L-serine and FBP bound. | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | | Deposit date: | 2012-07-13 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2.
Nature, 491, 2012
|
|
1X2J
 | | Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2 | | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-04-25 | | Release date: | 2006-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
|
|
1X2R
 | | Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2 | | Descriptor: | Kelch-like ECH-associated protein 1, Nuclear factor erythroid 2 related factor 2, SULFATE ION | | Authors: | Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-04-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
|
|
1EQZ
 | | X-RAY STRUCTURE OF THE NUCLEOSOME CORE PARTICLE AT 2.5 A RESOLUTION | | Descriptor: | 146 NUCLEOTIDES LONG DNA, CACODYLATE ION, CHLORIDE ION, ... | | Authors: | Hanson, B.L, Harp, J.M, Timm, D.E, Bunick, G.J. | | Deposit date: | 2000-04-06 | | Release date: | 2000-04-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Asymmetries in the nucleosome core particle at 2.5 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
|
|
6JKE
 | | Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Mathur, S, Deshmukh, P. | | Deposit date: | 2019-02-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
|
|
5XHE
 | | Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, TRIETHYLENE GLYCOL | | Authors: | Padmanabhan, B, Mathur, S, Tripathi, S.K, Deshmukh, P. | | Deposit date: | 2017-04-20 | | Release date: | 2017-09-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs.
J. Biomol. Struct. Dyn., 36, 2018
|
|
2ZGI
 | | Crystal Structure of Putative 4-amino-4-deoxychorismate lyase | | Descriptor: | DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE, Putative 4-amino-4-deoxychorismate lyase, ... | | Authors: | Padmanabhan, B, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-01-22 | | Release date: | 2008-07-22 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of putative 4-amino-4-deoxychorismate lyase from Thermus thermophilus HB8.
Acta Crystallogr.,Sect.F, 65, 2009
|
|
