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7U5H
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BU of 7u5h by Molmil
Cryo-EM Structure of DNPEP
Descriptor: Aspartyl aminopeptidase, ZINC ION
Authors:Morgan, C.E, Yu, E.W, Zhang, Z.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7U5K
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BU of 7u5k by Molmil
Cryo-EM Structure of DPYSL2
Descriptor: Dihydropyrimidinase-related protein 2
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7U5N
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BU of 7u5n by Molmil
Cryo-EM Structure of Glutamine Synthetase
Descriptor: Glutamine synthetase, MANGANESE (II) ION
Authors:Morgan, C.E, Yu, E.W, Zhang, Z.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7U5I
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BU of 7u5i by Molmil
Cryo-EM Structure of Mitochondrial Creatine Kinase
Descriptor: Creatine kinase U-type, mitochondrial
Authors:Morgan, C.E, Yu, E.W, Zhang, Z.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7U5L
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BU of 7u5l by Molmil
Cryo-EM Structure of Ferritin
Descriptor: FE (III) ION, Ferritin heavy chain
Authors:Morgan, C.E, Zhang, Z, Yu, E.W.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
7C3N
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BU of 7c3n by Molmil
Crystal structure of JAK3 in complex with Delgocitinib
Descriptor: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3
Authors:Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
Deposit date:2020-05-13
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
5ZM4
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BU of 5zm4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid C
Descriptor: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
5O6Y
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BU of 5o6y by Molmil
Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, ...
Authors:Fadouloglou, V.E, Kotsifaki, D, Kokkinidis, M.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
To Be Published
4L1G
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BU of 4l1g by Molmil
Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase from Bacillus cereus
Descriptor: ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, SULFATE ION
Authors:Tsalafouta, A, Fadouloglou, V.E, Kokkinidis, M.
Deposit date:2013-06-03
Release date:2014-06-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Unusual alpha-Carbon Hydroxylation of Proline Promotes Active-Site Maturation.
J.Am.Chem.Soc., 139, 2017
5ZM2
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BU of 5zm2 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA
Descriptor: Dioxygenase andA
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
5ZM3
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BU of 5zm3 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B
Descriptor: (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ...
Authors:Nakashima, Y, Senda, T.
Deposit date:2018-04-01
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
1AQI
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BU of 1aqi by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-25
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
1AQJ
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BU of 1aqj by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, SINEFUNGIN
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-25
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
7DV6
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BU of 7dv6 by Molmil
Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents
Descriptor: 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2
Authors:Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T.
Deposit date:2021-01-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
1G38
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BU of 1g38 by Molmil
ADENINE-SPECIFIC METHYLTRANSFERASE M. TAQ I/DNA COMPLEX
Descriptor: 5'-D(*GP*AP*CP*AP*TP*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ...
Authors:Goedecke, K, Pignot, M, Goody, R.S, Scheidig, A.J, Weinhold, E.
Deposit date:2000-10-23
Release date:2001-03-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the N6-adenine DNA methyltransferase M.TaqI in complex with DNA and a cofactor analog.
Nat.Struct.Biol., 8, 2001
2DCW
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BU of 2dcw by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
Descriptor: Tachystatin-B2
Authors:Fujitani, N, Kawano, K.
Deposit date:2006-01-16
Release date:2007-01-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
2DCV
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BU of 2dcv by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
Descriptor: Tachystatin-B1
Authors:Fujitani, N, Kohno, T.
Deposit date:2006-01-16
Release date:2007-01-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
8EZ6
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BU of 8ez6 by Molmil
The DBC1/SIRT1 Interaction is Choreographed by Post-translational Modification
Descriptor: Cell cycle and apoptosis regulator protein 2
Authors:Krzysiak, T.C, Gronenborn, A.M.
Deposit date:2022-10-31
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitory protein-protein interactions of the SIRT1 deacetylase are choreographed by post-translational modification.
Protein Sci., 33, 2024
7YCE
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BU of 7yce by Molmil
KRas G12C in complex with Compound 7b
Descriptor: 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y.
Deposit date:2022-07-01
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
7YCC
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BU of 7ycc by Molmil
KRas G12C in complex with Compound 5c
Descriptor: 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y.
Deposit date:2022-07-01
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity.
Bioorg.Med.Chem., 71, 2022
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
Descriptor: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2023-11-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
4ZHK
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BU of 4zhk by Molmil
Crystal structure of RPE65 in complex with MB-002
Descriptor: (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2015-04-25
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
2ADM
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BU of 2adm by Molmil
ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-15
Release date:1997-01-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
8DMB
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BU of 8dmb by Molmil
Structure of Desulfovirgula thermocuniculi IsrB (DtIsrB) in complex with omega RNA and target DNA
Descriptor: MAGNESIUM ION, Ubiquitin-like protein SMT3,IsrB protein,monomeric superfolder Green Fluorescent Protein, non-target DNA, ...
Authors:Seiichi, H, Kappel, K, Zhang, F.
Deposit date:2022-07-08
Release date:2022-10-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the OMEGA nickase IsrB in complex with omega RNA and target DNA.
Nature, 610, 2022
7ROZ
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BU of 7roz by Molmil
Structure of RNA-dependent RNA polymerase 2 (RDR2) from Arabidopsis thaliana
Descriptor: MAGNESIUM ION, RNA-dependent RNA polymerase 2
Authors:Fukudome, A, Pikaard, C.S, Takagi, Y.
Deposit date:2021-08-02
Release date:2021-12-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and RNA template requirements of Arabidopsis RNA-DEPENDENT RNA POLYMERASE 2.
Proc.Natl.Acad.Sci.USA, 118, 2021

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