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5M9J
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Human angiogenin PD variant K60E
分子名称: Angiogenin, L(+)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MTK
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Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199)
分子名称: (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1
著者Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D.
登録日2017-01-09
公開日2018-02-28
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
5MK8
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Crystal structure of the receptor-binding domain of the FA hybrid Clostridium botulinum neurotoxin
分子名称: Botulinum neurotoxin FA binding domain, CHLORIDE ION, FORMIC ACID
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
5M9S
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Human angiogenin ALS variant V103I
分子名称: Angiogenin, D(-)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
7KS4
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Thermus Phage P74-26 Large Terminase ATPase domain with partially bound ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phage terminase large subunit, ...
著者Hilbert, B.J, Kelch, B.A.
登録日2020-11-20
公開日2021-05-05
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Viral packaging ATPases utilize a glutamate switch to couple ATPase activity and DNA translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5MK7
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Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 2)
分子名称: Botulinum neurotoxin type A
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
7KJJ
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Reconstructed ancestor of HIUases and Transthyretins
分子名称: 1,2-ETHANEDIOL, 3,5,3',5'-TETRAIODO-L-THYRONINE, TTR ancestor
著者Nagem, R.A.P, Bleicher, L, Costa, M.A.F.
登録日2020-10-26
公開日2021-05-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies.
J.Mol.Evol., 89, 2021
7NAY
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Crystal structure of lactate dehydrogenase from Selenomonas ruminantium with NADH.
分子名称: 1,2-ETHANEDIOL, BORIC ACID, L-lactate dehydrogenase, ...
著者Bertrand, Q, Robin, A, Girard, E, Madern, D.
登録日2021-01-25
公開日2021-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
7MGJ
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TNNI3K complexed with N-methyl-4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)picolinamide
分子名称: N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
7MGK
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TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
分子名称: N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
7M0J
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SARS-CoV-2 u1S2q All Down RBD State Spike Protein Trimer - asymmetric refinement
分子名称: Spike glycoprotein
著者Henderson, R, Acharya, P.
登録日2021-03-11
公開日2021-03-31
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation and antigenicity.
Biorxiv, 2021
7LJR
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SARS-CoV-2 Spike Protein Trimer bound to DH1043 fab
分子名称: Fab DH1043 heavy chain, Fab DH1043 light chain, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-01-30
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献The functions of SARS-CoV-2 neutralizing and infection-enhancing antibodies in vitro and in mice and nonhuman primates.
Biorxiv, 2021
7LWS
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UK (B.1.1.7) SARS-CoV-2 S-GSAS-D614G variant spike protein in the 3-RBD-down conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-01
公開日2021-03-31
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation and antigenicity.
Biorxiv, 2021
4QFV
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Crystal structure of a unique ankyrin
分子名称: ACETATE ION, ANK-N5C-281
著者Ethayathulla, A.S, Tikhonova, E.B, Guan, L.
登録日2014-05-21
公開日2015-05-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
2B54
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Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305
分子名称: 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2
著者Chang, C.-C.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
1YFF
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STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL
分子名称: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
著者Patskovska, L, Patskovsky, Y, Hirsch, R.E, Almo, S.C.
登録日2004-12-31
公開日2005-01-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Quaternary Transitions in Human Liganded Hemoglobin
To be Published
3BJL
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LOC, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN AMMONIUM SULFATE
分子名称: LOC - LAMBDA 1 TYPE LIGHT-CHAIN DIMER
著者Schiffer, M, Huang, D.B.
登録日1995-05-26
公開日1995-12-07
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three quaternary structures for a single protein.
Proc.Natl.Acad.Sci.USA, 93, 1996
1G9F
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CRYSTAL STRUCTURE OF THE SOYBEAN AGGLUTININ IN A COMPLEX WITH A BIANTENNARY BLOOD GROUP ANTIGEN ANALOG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, LECTIN, ...
著者Buts, L, Hamelryck, T.W, Dao-Thi, M.-H, Loris, R, Wyns, L, Etzler, M.E.
登録日2000-11-23
公開日2001-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus.
J.Mol.Biol., 309, 2001
5C1G
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Crystal structure of ABBA + UDP + DI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, ...
著者Gagnon, S.
登録日2015-06-13
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5BXC
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Crystal structure of GTA + UDP + DI
分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Gagnon, S.
登録日2015-06-08
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
8I0C
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
分子名称: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
登録日2023-01-10
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
5CJ3
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Crystal structure of the zorbamycin binding protein (ZbmA) from Streptomyces flavoviridis with zorbamycin
分子名称: CHLORIDE ION, COPPER (II) ION, Zbm binding protein, ...
著者Chang, C, Bigelow, L, Clancy, S, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Rudolf, J.D, Ma, M, Chang, C.-Y, Lohman, J.R, Yang, D, Shen, B, Enzyme Discovery for Natural Product Biosynthesis, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-07-13
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6499 Å)
主引用文献Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
5CNX
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Crystal structure of Xaa-Pro aminopeptidase from Escherichia coli K12
分子名称: Aminopeptidase YpdF, CACODYLATE ION, GLYCEROL, ...
著者Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D.
登録日2015-07-18
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases
Proteins, 2018
5D2Y
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Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
分子名称: De novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
To Be Published
5D7Y
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Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18
分子名称: Capsid protein, methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
著者Venkatakrishnan, B, Katen, S.P, Zlotnick, A.
登録日2015-08-14
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.894 Å)
主引用文献Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket.
J.Virol., 90, 2016

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件を2024-08-07に公開中

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