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3JY9
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Janus Kinase 2 Inhibitors
Descriptor: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-09-21
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
3KO5
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BU of 3ko5 by Molmil
D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
6O1O
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BU of 6o1o by Molmil
Cryo-EM structure of the T. thermophilus Csm complex bound to target ssRNA
Descriptor: Csm1, Csm2, Csm3, ...
Authors:Liu, J.J, Liu, T.Y.
Deposit date:2019-02-21
Release date:2019-07-10
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Target preference of Type III-A CRISPR-Cas complexes at the transcription bubble.
Nat Commun, 10, 2019
5AWX
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BU of 5awx by Molmil
Crystal structure of Human PTPRZ D1 domain
Descriptor: BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2015-07-10
Release date:2016-02-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma
Sci Rep, 6, 2016
5AUL
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BU of 5aul by Molmil
PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex
Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, T-cell-specific surface glycoprotein CD28
Authors:Inaba, S, Numoto, N, Morii, H, Ikura, T, Oda, M, Ito, N.
Deposit date:2015-04-28
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins
J. Biol. Chem., 292, 2017
7Y6A
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BU of 7y6a by Molmil
Crystal structure of Chicken Egg Lysozyme
Descriptor: Lysozyme C, NITRATE ION
Authors:DeMirci, H.
Deposit date:2022-06-18
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source " Turkish DeLight ".
Turk J Biol, 47, 2023
5NJ7
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BU of 5nj7 by Molmil
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and arsenoplatin-1
Descriptor: Ribonuclease pancreatic, arsenoplatin-1
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-03-28
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Arsenoplatin-1 Is a Dual Pharmacophore Anticancer Agent.
J.Am.Chem.Soc., 141, 2019
7XYE
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BU of 7xye by Molmil
The apo structure of Orf1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-06-01
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.482 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXC
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Orf1-glycine-glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-29
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7YDO
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BU of 7ydo by Molmil
Crystal structure of Atg44
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Uncharacterized protein C26A3.14c
Authors:Maruyama, T, Noda, N.N.
Deposit date:2022-07-04
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The mitochondrial intermembrane space protein mitofissin drives mitochondrial fission required for mitophagy.
Mol.Cell, 83, 2023
5NNZ
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BU of 5nnz by Molmil
Crystal structure of human ODA16
Descriptor: Dynein assembly factor with WDR repeat domains 1
Authors:Lorentzen, E, Taschner, T, Basquin, J.
Deposit date:2017-04-10
Release date:2017-06-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Purification and crystal structure of human ODA16: Implications for ciliary import of outer dynein arms by the intraflagellar transport machinery.
Protein Sci., 29, 2020
7XXM
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BU of 7xxm by Molmil
Orf1-glycine-4-aminobutylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-30
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XX0
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BU of 7xx0 by Molmil
C281S glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XYL
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BU of 7xyl by Molmil
E426Q-glycine-glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-06-01
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
5CWZ
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BU of 5cwz by Molmil
Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase
Descriptor: TRAF2 and NCK-interacting protein kinase
Authors:Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M.
Deposit date:2015-07-28
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
7WAL
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BU of 7wal by Molmil
Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Co
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ...
Authors:Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAK
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BU of 7wak by Molmil
Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamyl-tRNA synthetase, ...
Authors:Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.782 Å)
Cite:Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAJ
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BU of 7waj by Molmil
Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) complexed with ATP and Co
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAO
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BU of 7wao by Molmil
Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Mn
Descriptor: CHLORIDE ION, Glutamyl-tRNA synthetase, MANGANESE (II) ION
Authors:Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.582 Å)
Cite:Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAI
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BU of 7wai by Molmil
Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS)
Descriptor: CHLORIDE ION, Glutamyl-tRNA synthetase
Authors:Sharma, V, Manickam, Y, Harlos, K, Sharma, A.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7XMC
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BU of 7xmc by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMB
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BU of 7xmb by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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数据于2024-07-17公开中

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