8R9S
 
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
4K7B
 | | Crystal structure of Extrinsic protein in photosystem II | | Descriptor: | Extrinsic protein in photosystem II, GLYCEROL, SULFATE ION | | Authors: | Nagao, R, Suga, M, Niikura, A, Okumura, A, Koua, F.H.M, Suzuki, T, Tomo, T, Enami, I, Shen, J.R. | | Deposit date: | 2013-04-16 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Psb31, a Novel Extrinsic Protein of Photosystem II from a Marine Centric Diatom and Implications for Its Binding and Function
Biochemistry, 52, 2013
|
|
8R9A
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
8R9O
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
3DBS
 | | Structure of PI3K gamma in complex with GDC0941 | | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Wiesmann, C, Ultsch, M. | | Deposit date: | 2008-06-02 | | Release date: | 2008-06-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
|
|
8R99
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
4W52
 | | T4 Lysozyme L99A with Benzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | Deposit date: | 2014-08-16 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5001 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W54
 | | T4 Lysozyme L99A with Ethylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | Deposit date: | 2014-08-16 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7901 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W57
 | | T4 Lysozyme L99A with n-Butylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | Deposit date: | 2014-08-16 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6801 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
8R9B
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
8RUH
 | |
8RAK
 | |
4UWG
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
|
|
5ZRP
 | | M. smegmatis antimutator protein MutT2 form 3 | | Descriptor: | Putative mutator protein MutT2/NUDIX hydrolase | | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | Deposit date: | 2018-04-24 | | Release date: | 2019-04-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
|
|
8RP8
 | | Structure of K2 Fab in complex with human CD47 ECD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Laursen, M, Kelpsas, V, Rose, N. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
|
|
8RUI
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | | Descriptor: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
|
|
8RUK
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+, and ARN25850 | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (4.81 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
|
|
8RU8
 | | A crystal form of a human CDK2-CDK7 chimera | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
|
|
5ZUI
 | | Crystal Structure of HSP104 from Chaetomium thermophilum | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat Shock Protein 104, SULFATE ION | | Authors: | Hanazono, Y, Inoue, Y, Noguchi, K, Yohda, M, Shinohara, K, Takeda, K, Miki, K. | | Deposit date: | 2018-05-07 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Split conformation of Chaetomium thermophilum Hsp104 disaggregase.
Structure, 2021
|
|
8RUJ
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
|
|
6A88
 | | Crystal Structure of T. gondii prolyl tRNA synthetase with Febrifugine and ATP Analog | | Descriptor: | 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Kumari, S, Mishra, S, Yogavel, M, Sharma, A. | | Deposit date: | 2018-07-06 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase.
Acta Crystallogr.,Sect.F, 75, 2019
|
|
8RPB
 | | Structure of S79 Fab in complex with IgV domain of human PD-L1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ... | | Authors: | Svensson, A, Kelpsas, V, Laursen, M, Rose, N. | | Deposit date: | 2024-01-15 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
|
|
4W8X
 | | Crystal Structure of Cmr1 from Pyrococcus furiosus bound to a nucleotide | | Descriptor: | CRISPR system Cmr subunit Cmr1-1, GUANOSINE-3'-MONOPHOSPHATE, PHOSPHATE ION | | Authors: | Benda, C, Ebert, J, Baumgaertner, M, Conti, E. | | Deposit date: | 2014-08-26 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
|
|
8RUL
 | |
4W8Y
 | | Structure of full length Cmr2 from Pyrococcus furiosus (Manganese bound form) | | Descriptor: | CRISPR system Cmr subunit Cmr2, MANGANESE (II) ION, ZINC ION | | Authors: | Benda, C, Ebert, J, Baumgaertner, M, Conti, E. | | Deposit date: | 2014-08-26 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
|
|
