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5ZZ4
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BU of 5zz4 by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e
Descriptor: N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M.
Deposit date:2018-05-30
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis.
J. Med. Chem., 61, 2018
2R6N
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BU of 2r6n by Molmil
Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K
Descriptor: 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine, Cathepsin K
Authors:Cowan-Jacob, S.W, Ramage, P, Mathis, B, Geisse, S.
Deposit date:2007-09-06
Release date:2007-11-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel scaffold for cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7CQD
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BU of 7cqd by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Tamura-Sakaguchi, R, Aruga, R, Nogi, T.
Deposit date:2020-08-10
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
7CQC
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BU of 7cqc by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Aruga, R, Tamura-Sakaguchi, R, Nogi, T.
Deposit date:2020-08-10
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7W71
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BU of 7w71 by Molmil
Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab
Descriptor: Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
Authors:Hirose, T, Katagiri, S, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6Y
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BU of 7w6y by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ...
Authors:Imaizumi, Y, Takanuki, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6X
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BU of 7w6x by Molmil
Crystal structure of E. coli RseP in complex with batimastat
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Regulator of sigma-E protease RseP, ZINC ION
Authors:Takanuki, K, Imaizumi, Y, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6Z
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BU of 7w6z by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P21
Descriptor: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ZINC ION, Zinc metalloprotease
Authors:Imaizumi, Y, Takanuki, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W70
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BU of 7w70 by Molmil
Crystal structure of the PDZ-C domain fragment of Kangiella koreensis RseP orthologue
Descriptor: Zinc metalloprotease
Authors:Miyoshi, K, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
5VKD
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BU of 5vkd by Molmil
Crystal structure of C-terminal domain of Ebola (Bundibugyo) nucleoprotein in complex with Fab fragment
Descriptor: Fab Heavy Chain, Fab light chain, Nucleoprotein
Authors:Radwanska, M.J, Derewenda, U, Kossiakoff, A, Derewenda, Z.S.
Deposit date:2017-04-21
Release date:2018-04-25
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The structure of the C-terminal domain of the nucleoprotein from the Bundibugyo strain of the Ebola virus in complex with a pan-specific synthetic Fab.
Acta Crystallogr D Struct Biol, 74, 2018
5W2B
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BU of 5w2b by Molmil
Crystal structure of C-terminal domain of Ebola (Reston) nucleoprotein in complex with Fab fragment
Descriptor: Fab Heavy Chain, Fab Light Chain, Nucleoprotein
Authors:Radwanska, M.J, Derewenda, U, Kossiakoff, A.A, Derewenda, Z.S.
Deposit date:2017-06-06
Release date:2018-06-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure of the C-terminal domain of the nucleoprotein from the Bundibugyo strain of the Ebola virus in complex with a pan-specific synthetic Fab.
Acta Crystallogr D Struct Biol, 74, 2018
3RQR
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BU of 3rqr by Molmil
Crystal structure of the RYR domain of the rabbit ryanodine receptor
Descriptor: (UNK)(UNK)(UNK)(UNK), Ryanodine receptor 1
Authors:Nair, U.B, Li, W, Dong, A, Walker, J.R, Gramolini, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2011-04-28
Release date:2011-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural determination of the phosphorylation domain of the ryanodine receptor.
Febs J., 279, 2012
3VPH
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BU of 3vph by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24 complexed with oxamate, NADH and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
3VPG
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BU of 3vpg by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24
Descriptor: GLYCEROL, L-lactate dehydrogenase
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014

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