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8YDQ
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BU of 8ydq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.2 variant spike protein in complex with Ce149
Descriptor: GLYCEROL, SARS-CoV-2 inhibiting peptide Ce149, Spike protein S1
Authors:Nakamura, S, Numoto, N, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
8YDP
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BU of 8ydp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 spike protein in complex with Ce9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SARS-CoV-2 inhibiting peptide Ce9, ...
Authors:Nakamura, S, Numoto, N, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
8YDT
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BU of 8ydt by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Alpha variant spike protein in complex with Ce41
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 inhibiting peptide Ce41, Spike protein S1
Authors:Nakamura, S, Numoto, N, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
8YDW
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BU of 8ydw by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron XBB.1.5 variant spike protein in complex with CeSPIACE
Descriptor: GLYCEROL, SARS-CoV-2 inhibiting peptide CeSPIACE, SODIUM ION, ...
Authors:Nakamura, S, Numoto, N, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
8YDX
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BU of 8ydx by Molmil
Cryo-EM structure of SARS-CoV-2 spike ectodomain (HexaPro, Omicron BA.2 variant) in complex with CeSPIACE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CeSPIACE, Spike glycoprotein
Authors:Suzuki, H, Nakamura, S, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
8YDS
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BU of 8yds by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike protein in complex with Ce59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SARS-CoV-2 inhibiting peptide Ce59, ...
Authors:Nakamura, S, Numoto, N, Fujiyoshi, Y.
Deposit date:2024-02-21
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of a short-peptide inhibiting any SARS-CoV-2 variants based on structural biology
To Be Published
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CTJ
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BU of 3ctj by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5D1J
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BU of 5d1j by Molmil
CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
Descriptor: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:Sack, J.S.
Deposit date:2015-08-04
Release date:2015-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent
J.Med.Chem., 47, 2004
4P58
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BU of 4p58 by Molmil
Crystal structure of mouse comt bound to an inhibitor
Descriptor: 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase
Authors:Lanier, M.
Deposit date:2014-03-15
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
5B71
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BU of 5b71 by Molmil
Crystal structure of complement C5 in complex with SKY59
Descriptor: Complement C5 beta chain, SKY59 Fab heavy chain, SKY59 Fab light chain
Authors:Irie, M, Shimizu, Y, Sampei, Z, Fukuzawa, T.
Deposit date:2016-06-03
Release date:2017-05-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Long lasting neutralization of C5 by SKY59, a novel recycling antibody, is a potential therapy for complement-mediated diseases.
Sci Rep, 7, 2017
8JH0
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BU of 8jh0 by Molmil
Crystal structure of the light-driven sodium pump IaNaR
Descriptor: RETINAL, Xanthorhodopsin
Authors:Hashimoto, T, Kato, K, Tanaka, Y, Yao, M, Kikukawa, T.
Deposit date:2023-05-22
Release date:2023-11-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Multistep conformational changes leading to the gate opening of light-driven sodium pump rhodopsin.
J.Biol.Chem., 299, 2023
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
8YUQ
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BU of 8yuq by Molmil
E. coli 70S ribosome complexed with P. putida tRNAIle2 and dA4 mRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Akiyama, N, Ishiguro, K, Shirouzu, M, Suzuki, T.
Deposit date:2024-03-27
Release date:2024-11-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:A tRNA modification with aminovaleramide facilitates AUA decoding in protein synthesis.
Nat.Chem.Biol., 21, 2025
8YUP
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BU of 8yup by Molmil
E. coli 70S ribosome complexed with P. putida tRNAIle2 and A4 mRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Akiyama, N, Ishiguro, K, Shirouzu, M, Suzuki, T.
Deposit date:2024-03-28
Release date:2024-11-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:A tRNA modification with aminovaleramide facilitates AUA decoding in protein synthesis.
Nat.Chem.Biol., 21, 2025
8YUR
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BU of 8yur by Molmil
E. coli 70S ribosome complexed with P. putida tRNAIle2 and Am4 mRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Akiyama, N, Ishiguro, K, Shirouzu, M, Suzuki, T.
Deposit date:2024-03-27
Release date:2024-11-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:A tRNA modification with aminovaleramide facilitates AUA decoding in protein synthesis.
Nat.Chem.Biol., 21, 2025
8YUS
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BU of 8yus by Molmil
E. coli 70S ribosome complexed with P.putida tRNAIle2 and A(F)4 mRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Akiyama, N, Ishiguro, K, Shirouzu, M, Suzuki, T.
Deposit date:2024-03-27
Release date:2024-11-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:A tRNA modification with aminovaleramide facilitates AUA decoding in protein synthesis.
Nat.Chem.Biol., 21, 2025
8YUO
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BU of 8yuo by Molmil
E. coli 70S ribosome complexed with P. putida tRNAIle2 at the A-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Akiyama, N, Ishiguro, K, Shirouzu, M, Suzuki, T.
Deposit date:2024-03-27
Release date:2024-11-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.25 Å)
Cite:A tRNA modification with aminovaleramide facilitates AUA decoding in protein synthesis.
Nat.Chem.Biol., 21, 2025
8JYM
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BU of 8jym by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 2)
Descriptor: 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
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
8JYK
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BU of 8jyk by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 1)
Descriptor: 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
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
8JYP
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BU of 8jyp by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
3F82
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BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-11-11
Release date:2009-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
8JYN
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BU of 8jyn by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
8JYO
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BU of 8jyo by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (2-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024

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