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6SPO
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BU of 6spo by Molmil
Structure of the Escherichia coli methionyl-tRNA synthetase complexed with methionine
Descriptor: CITRIC ACID, GLYCEROL, METHIONINE, ...
Authors:Nigro, G, Schmitt, E, Mechulam, Y.
Deposit date:2019-09-02
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
6SPQ
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BU of 6spq by Molmil
Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with methionine
Descriptor: CITRIC ACID, GLYCEROL, METHIONINE, ...
Authors:Nigro, G, Schmitt, E, Mechulam, Y.
Deposit date:2019-09-02
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
6SW9
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BU of 6sw9 by Molmil
IC2A model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Coureux, P.-D, Mechulam, Y, Schmitt, E.
Deposit date:2019-09-20
Release date:2020-02-19
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation.
Commun Biol, 3, 2020
7ZKI
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BU of 7zki by Molmil
Cryo-EM structure of aIF1A:aIF5B:Met-tRNAiMet complex from a Pyrococcus abyssi 30S initiation complex
Descriptor: MAGNESIUM ION, METHIONINE, Met-tRNAiMet, ...
Authors:Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R.
Deposit date:2022-04-13
Release date:2022-07-20
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
6SPN
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BU of 6spn by Molmil
Structure of the Escherichia coli methionyl-tRNA synthetase complexed with beta-methionine
Descriptor: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, GLYCEROL, ...
Authors:Nigro, G, Schmitt, E, Mechulam, Y.
Deposit date:2019-09-02
Release date:2020-01-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
6L1D
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BU of 6l1d by Molmil
Structure of human StAR-related lipid transfer protein 4
Descriptor: StAR-related lipid transfer protein 4
Authors:Tong, J, Im, Y.J.
Deposit date:2019-09-29
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of human sterol transfer protein STARD4.
Biochem.Biophys.Res.Commun., 520, 2019
6L1M
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BU of 6l1m by Molmil
Structure of human StAR-related lipid transfer protein 4 mutant - LWNI107-110GG
Descriptor: StAR-related lipid transfer protein 4
Authors:Tong, J, Im, Y.J.
Deposit date:2019-09-29
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of human sterol transfer protein STARD4.
Biochem.Biophys.Res.Commun., 520, 2019
3V11
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BU of 3v11 by Molmil
Structure of the ternary initiation complex AIF2:GDPNP:methionylated initiator TRNA
Descriptor: Initiator tRNA, MAGNESIUM ION, METHIONINE, ...
Authors:Mechulam, Y, Schmitt, E.
Deposit date:2011-12-09
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (5 Å)
Cite:Structure of the ternary initiation complex aIF2-GDPNP-methionylated initiator tRNA.
Nat.Struct.Mol.Biol., 19, 2012
1BOE
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BU of 1boe by Molmil
STRUCTURE OF THE IGF BINDING DOMAIN OF THE INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5): IMPLICATIONS FOR IGF AND IGF-I RECEPTOR INTERACTIONS
Descriptor: PROTEIN (INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5))
Authors:Kalus, W, Zweckstetter, M, Renner, C, Sanchez, Y, Georgescu, J, Grol, M, Demuth, D, Schumacherdony, C, Lang, K, Holak, T.H.
Deposit date:1998-07-30
Release date:1998-12-16
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structure of the IGF-binding domain of the insulin-like growth factor-binding protein-5 (IGFBP-5): implications for IGF and IGF-I receptor interactions.
EMBO J., 17, 1998
3NCU
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BU of 3ncu by Molmil
Structural and functional insights into pattern recognition by the innate immune receptor RIG-I
Descriptor: 5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3', RIG-I, ZINC ION
Authors:Sheng, G, Li, H.
Deposit date:2010-06-05
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and functional insights into 5'-ppp RNA pattern recognition by the innate immune receptor RIG-I.
Nat.Struct.Mol.Biol., 17, 2010
8Q95
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BU of 8q95 by Molmil
Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
Descriptor: Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1
Authors:Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q94
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BU of 8q94 by Molmil
Crystal structure of The SARS-COV-2 BA.2.75 RBD with neutralizing-VHHs Re32D03 and Ma3B12
Descriptor: Nanobody Ma3B12, Nanobody Re32D03, Spike protein S1
Authors:Aksu, M, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q93
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BU of 8q93 by Molmil
Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01
Descriptor: Nanobody Re21D01, Nanobody Re30H02, Spike protein S1
Authors:Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-03
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6QMO
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BU of 6qmo by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308A mutations
Descriptor: CHLORIDE ION, Death-associated protein kinase 1, GLYCEROL, ...
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2019-02-07
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6QN4
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BU of 6qn4 by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289E and S308E mutations
Descriptor: ACETATE ION, Death-associated protein kinase 1, GLYCEROL, ...
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2019-02-08
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
5U3I
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BU of 5u3i by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
Descriptor: 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2016-12-02
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5UFJ
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BU of 5ufj by Molmil
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Descriptor: 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2017-01-04
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
4NYF
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BU of 4nyf by Molmil
HIV integrase in complex with inhibitor
Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase
Authors:Coulombe, R, Fader, L.
Deposit date:2013-12-10
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.
ACS Med Chem Lett, 5, 2014
8PX3
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BU of 8px3 by Molmil
Hepatitis B core protein with bound P1dC
Descriptor: External core antigen, P1dC
Authors:Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
Deposit date:2023-07-22
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published

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