7WR0
 
 | | P32 of caspase-4 C258A mutant | | Descriptor: | Caspase-4 | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR2
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7WR1
 | | P32 of caspase-4 C258A mutant in complex with OspC3 C-terminal ankyrin-repeat domain | | Descriptor: | Caspase-4, OspC3 | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR6
 | | Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521 | | Descriptor: | ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR3
 | | Crystal structure of MBP-fused OspC3 in complex with calmodulin | | Descriptor: | Calmodulin-1, MBP-fused OspC3, NICOTINAMIDE, ... | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7WR5
 | | Crystal structure of OspC3-calmodulin-caspase-4 complex binding with 2'-aF-NAD+ | | Descriptor: | Calmodulin-1, Caspase-4, OspC3, ... | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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7E8L
 | | The structure of Spodoptera litura chemosensory protein | | Descriptor: | Putative chemosensory protein CSP8 | | Authors: | Xie, W, Jia, Q, Zeng, H, Xiao, N, Tang, J, Gao, S, Zhang, J. | | Deposit date: | 2021-03-02 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of the Spodoptera litura Chemosensory Protein CSP8.
Insects, 12, 2021
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7DPK
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7DLC
 | | The structure of the Arabidopsis thaliana guanosine deaminase in reaction with N1-methylguanosine | | Descriptor: | 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one, Guanosine deaminase, ZINC ION | | Authors: | Xie, W, Jia, Q, Zeng, H. | | Deposit date: | 2020-11-27 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Asymmetric Catalysis of Arabidopsis thaliana Guanosine Deaminase Revealed by Crystal Structures
To Be Published
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7DOX
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7DOY
 | | The structure of the Arabidopsis thaliana guanosine deaminase in complex with 6-O-methylguanosine | | Descriptor: | (2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Guanosine deaminase, ZINC ION | | Authors: | Xie, W, Jia, Q, Zeng, H. | | Deposit date: | 2020-12-17 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Asymmetric Catalysis of Arabidopsis thaliana Guanosine Deaminase Revealed by Crystal Structures
To Be Published
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7DOW
 | | The structure of the Arabidopsis thaliana guanosine deaminase in reaction with 7-deazaguansoine | | Descriptor: | 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one, Guanosine deaminase, ZINC ION | | Authors: | Xie, W, Jia, Q, Zeng, H. | | Deposit date: | 2020-12-17 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Asymmetric Catalysis of Arabidopsis thaliana Guanosine Deaminase Revealed by Crystal Structures
To Be Published
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5VSC
 | | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13 | | Descriptor: | 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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2QPW
 | | Methyltransferase domain of human PR domain-containing protein 2 | | Descriptor: | PR domain zinc finger protein 2 | | Authors: | Lunin, V.V, Wu, H, Dombrovski, L, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-25 | | Release date: | 2007-08-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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2TDX
 | | DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL | | Descriptor: | DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | | Authors: | White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R. | | Deposit date: | 1998-06-22 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
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5KO9
 | | Crystal Structure of the SRAP Domain of Human HMCES Protein | | Descriptor: | Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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2RFI
 | | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide | | Descriptor: | Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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1DPR
 | | STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE | | Descriptor: | DIPHTHERIA TOX REPRESSOR | | Authors: | Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D. | | Deposit date: | 1995-02-06 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 92, 1995
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8JYY
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8JYZ
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8TU6
 | | 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
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3LLR
 | | Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION | | Authors: | Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
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8TSB
 | | 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
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8TSA
 | | 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
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8TS8
 | | 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
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