7E61
 
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2 | | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | | Authors: | Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E63
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1 | | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E66
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1 | | Descriptor: | N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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6DDM
 | | Crystal Structure Analysis of the Epitope of an Anti-MICA Antibody | | Descriptor: | Anti-MICA Fab fragment heavy chain clone 1D5, Anti-MICA Fab fragment light chain clone 1D5, MHC class I polypeptide-related sequence A | | Authors: | Matsumoto, M.L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-resolution glycosylation site-engineering method identifies MICA epitope critical for shedding inhibition activity of anti-MICA antibodies.
MAbs, 11, 2019
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6DDV
 | | Crystal Structure Analysis of the Epitope of an Anti-MICA Antibody | | Descriptor: | Anti-MICA Fab fragment heavy chain clone 6E1, Anti-MICA Fab fragment light chain clone 6E1, MHC class I chain-related protein A | | Authors: | Matsumoto, M.L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | High-resolution glycosylation site-engineering method identifies MICA epitope critical for shedding inhibition activity of anti-MICA antibodies.
MAbs, 11, 2019
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7W3D
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Descriptor: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Authors: | Park, T.H, Lee, B.I. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
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3SXF
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A. | | Deposit date: | 2011-07-14 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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3T3U
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A. | | Deposit date: | 2011-07-25 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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3T3V
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | Authors: | Larson, E.T, Merritt, E.A. | | Deposit date: | 2011-07-25 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
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6KBV
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6BFA
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2017-10-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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5F3K
 | | X-Ray Crystallographic Structure of hTrap1 N-terminal Domain-apo | | Descriptor: | Heat shock protein 75 kDa, mitochondrial | | Authors: | Sung, N, Lee, J, Kim, J, Chang, C, Joachimiak, A, Lee, S, Tsai, F.T.F. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7XL9
 | | The structure of HucR with urate | | Descriptor: | CHLORIDE ION, Transcriptional regulator, MarR family, ... | | Authors: | Park, S.Y. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The structure of Deinococcus radiodurans transcriptional regulator HucR retold with the urate bound.
Biochem.Biophys.Res.Commun., 615, 2022
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2J7Z
 | | Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha | | Descriptor: | STROMAL CELL-DERIVED FACTOR 1 ALPHA | | Authors: | Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C. | | Deposit date: | 2006-10-18 | | Release date: | 2006-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
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4Y5Q
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7C0J
 | | Crystal structure of chimeric mutant of GH5 in complex with Z-DNA | | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase | | Authors: | Choi, H.J, Park, C.H. | | Deposit date: | 2020-05-01 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
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1KOZ
 | | SOLUTION STRUCTURE OF OMEGA-GRAMMOTOXIN SIA | | Descriptor: | Voltage-dependent Channel Inhibitor | | Authors: | Takeuchi, K, Park, E.J, Lee, C.W, Kim, J.I, Takahashi, H, Swartz, K.J, Shimada, I. | | Deposit date: | 2001-12-25 | | Release date: | 2002-08-28 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of omega-grammotoxin SIA, a gating modifier of P/Q and N-type Ca(2+) channel.
J.Mol.Biol., 321, 2002
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5F8C
 | | Rv2258c-unbound | | Descriptor: | GLYCEROL, Methyltransferase | | Authors: | Im, H.N, Suh, S.W. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
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5F8F
 | | Rv2258c-SFG | | Descriptor: | GLYCEROL, Methyltransferase, SINEFUNGIN | | Authors: | Im, H.N, Suh, S.W. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
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4NFX
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7X6I
 | | Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class1 | | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Won, J, Jeong, H, Lee, H.H. | | Deposit date: | 2022-03-07 | | Release date: | 2023-04-26 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
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7X6C
 | | Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class1 | | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | | Authors: | Won, J, Jeong, H, Lee, H.H. | | Deposit date: | 2022-03-07 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
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3SX9
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4NFW
 | | Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli | | Descriptor: | MANGANESE (II) ION, Putative Nudix hydrolase ymfB, SULFATE ION | | Authors: | Hong, M.K, Kim, J.K, Kang, L.W. | | Deposit date: | 2013-11-01 | | Release date: | 2014-05-14 | | Last modified: | 2015-03-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
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5F8E
 | | Rv2258c-SAH | | Descriptor: | Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Im, H.N, Suh, S.W. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
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