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5AFX
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BU of 5afx by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-01-27
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5V4W
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BU of 5v4w by Molmil
Human glucokinase in complex with novel indazole activator.
Descriptor: (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
1BJ1
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BU of 1bj1 by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH A NEUTRALIZING ANTIBODY
Descriptor: Fab fragment, heavy chain, light chain, ...
Authors:Muller, Y.A, Christinger, H.W, De Vos, A.M.
Deposit date:1998-06-30
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:VEGF and the Fab fragment of a humanized neutralizing antibody: crystal structure of the complex at 2.4 A resolution and mutational analysis of the interface.
Structure, 6, 1998
7O7Z
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BU of 7o7z by Molmil
Rabbit 80S ribosome stalled close to the mutated SARS-CoV-2 slippery site by a pseudoknot (classified for pseudoknot)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N.
Deposit date:2021-04-14
Release date:2021-06-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome.
Science, 372, 2021
9FBV
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BU of 9fbv by Molmil
70S Escherichia coli ribosome with P-site initiatior tRNA.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S16, ...
Authors:Koller, T.O, Wilson, D.N.
Deposit date:2024-05-14
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Paenilamicins from the honey bee pathogen Paenibacillus larvae are context-specific translocation inhibitors of protein synthesis.
Biorxiv, 2024
7O1A
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BU of 7o1a by Molmil
Cryo-EM structure of an Escherichia coli TnaC(R23F)-ribosome complex stalled in response to L-tryptophan
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A.
Deposit date:2021-03-29
Release date:2021-09-01
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling.
Nat Commun, 12, 2021
1GPY
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BU of 1gpy by Molmil
CRYSTALLOGRAPHIC BINDING STUDIES ON THE ALLOSTERIC INHIBITOR GLUCOSE-6-PHOSPHATE TO T STATE GLYCOGEN PHOSPHORYLASE B
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
Authors:Johnson, L.N.
Deposit date:1993-03-31
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic binding studies on the allosteric inhibitor glucose-6-phosphate to T state glycogen phosphorylase b.
J.Mol.Biol., 232, 1993
1HIB
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BU of 1hib by Molmil
THE STRUCTURE OF AN INTERLEUKIN-1 BETA MUTANT WITH REDUCED BIOACTIVITY SHOWS MULTIPLE SUBTLE CHANGES IN CONFORMATION THAT AFFECT PROTEIN-PROTEIN RECOGNITION
Descriptor: INTERLEUKIN-1 BETA
Authors:Camacho, N.P, Smith, D.R, Goldman, A, Schneider, B, Green, D, Young, P.R, Berman, H.M.
Deposit date:1993-03-29
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an interleukin-1 beta mutant with reduced bioactivity shows multiple subtle changes in conformation that affect protein-protein recognition.
Biochemistry, 32, 1993
1QPX
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BU of 1qpx by Molmil
CRYSTAL STRUCTURES OF SELF-CAPPING PAPD CHAPERONE HOMODIMERS
Descriptor: PAPD CHAPERONE
Authors:Hung, D.L, Pinkner, J.S, Knight, S.D, Hultgren, S.J.
Deposit date:1999-05-31
Release date:1999-07-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of chaperone self-capping in P pilus biogenesis.
Proc.Natl.Acad.Sci.USA, 96, 1999
3CC2
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BU of 3cc2 by Molmil
The Refined Crystal Structure of the Haloarcula Marismortui Large Ribosomal Subunit at 2.4 Angstrom Resolution with rrnA Sequence for the 23S rRNA and Genome-derived Sequences for r-Proteins
Descriptor: 23S RIBOSOMAL RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G.
Deposit date:2008-02-23
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutations outside the anisomycin-binding site can make ribosomes drug-resistant.
J.Mol.Biol., 379, 2008
6Y5C
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BU of 6y5c by Molmil
The crystal structure of glycogen phosphorylase in complex with 52
Descriptor: 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
7O71
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BU of 7o71 by Molmil
Cryo-EM structure of a respiratory complex I
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
1CZ8
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BU of 1cz8 by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH AN AFFINITY MATURED ANTIBODY
Descriptor: HEAVY CHAIN OF NEUTRALIZING ANTIBODY, LIGHT CHAIN OF NEUTRALIZING ANTIBODY, SULFATE ION, ...
Authors:Chen, Y, Wiesmann, C, Fuh, G, Li, B, Christinger, H.W, McKay, P, de Vos, A.M, Lowman, H.B.
Deposit date:1999-09-01
Release date:2000-03-20
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection and analysis of an optimized anti-VEGF antibody: crystal structure of an affinity-matured Fab in complex with antigen.
J.Mol.Biol., 293, 1999
8OVJ
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BU of 8ovj by Molmil
CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME : PARENTAL STRAIN
Descriptor: 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ...
Authors:Rajan, K.S, Yonath, A.
Deposit date:2023-04-26
Release date:2024-05-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
5JUZ
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BU of 5juz by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
Authors:Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
8A6Z
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BU of 8a6z by Molmil
PcIDS1 in complex with Mn2+ and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
6QA6
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BU of 6qa6 by Molmil
Glycogen Phosphorylase b in complex with 30
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
8CVJ
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BU of 8cvj by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Phe-NH-tRNAphe, peptidyl P-site fMSEAC-NH-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-05-18
Release date:2022-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the ribosome function from the structures of non-arrested ribosome-nascent chain complexes.
Nat.Chem., 15, 2023
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
4P0V
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BU of 4p0v by Molmil
Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione
Descriptor: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Liu, Y.L, Oldfield, E.
Deposit date:2014-02-23
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
2SKD
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BU of 2skd by Molmil
PYRIDOXAL PHOSPHORYLASE B IN COMPLEX WITH PHOSPHATE, GLUCOSE AND INOSINE-5'-MONOPHOSPHATE
Descriptor: INOSINIC ACID, PHOSPHATE ION, PYRIDOXAL PHOSPHORYLASE B, ...
Authors:Oikonomakos, N.G, Zographos, S.E, Tsitsanou, K.E, Johnson, L.N, Acharya, K.R.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activator anion binding site in pyridoxal phosphorylase b: the binding of phosphite, phosphate, and fluorophosphate in the crystal.
Protein Sci., 5, 1996
7P7Q
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BU of 7p7q by Molmil
E. faecalis 70S ribosome bound by PoxtA-EQ2, high-resolution combined volume
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
8R8M
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BU of 8r8m by Molmil
70S Escherichia coli ribosome with Paenilamicin B2 bound with hybrid A/P- and hybrid P/E-tRNA.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S16, ...
Authors:Koller, T.O, Wilson, D.N.
Deposit date:2023-11-29
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Paenilamicins from the honey bee pathogen Paenibacillus larvae are context-specific translocation inhibitors of protein synthesis.
Biorxiv, 2024
4KQ5
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BU of 4kq5 by Molmil
Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate
Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C.
Deposit date:2013-05-14
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate
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223532

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