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4IJN
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BU of 4ijn by Molmil
Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-12-21
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RA4
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BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Descriptor: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-09-09
Release date:2014-10-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
4R3P
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BU of 4r3p by Molmil
Crystal structures of EGFR in complex with Mig6
Descriptor: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1
Authors:Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
Deposit date:2014-08-17
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
4RGQ
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BU of 4rgq by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ...
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGV
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BU of 4rgv by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH
Descriptor: Glycerol-1-phosphate dehydrogenase, MAGNESIUM ION, ZINC ION
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RFL
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BU of 4rfl by Molmil
Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
Descriptor: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
Deposit date:2014-09-26
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
6ZBF
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BU of 6zbf by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 3
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBE
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BU of 6zbe by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 1
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBC
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BU of 6zbc by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, main conformation
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBJ
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BU of 6zbj by Molmil
Plasmodium falciparum merozoite surface protein 1 dimer, conformation 1
Descriptor: Merozoite surface protein-1, Precursor of the major merozoite surface antigens
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBD
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BU of 6zbd by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 2
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBH
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BU of 6zbh by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 5
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBL
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BU of 6zbl by Molmil
Plasmodium falciparum merozoite surface protein 1 dimer, conformation 2
Descriptor: Merozoite surface protein-1, Precursor of the major merozoite surface antigens
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
6ZBG
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BU of 6zbg by Molmil
Merozoite surface protein 1 (MSP-1) from Plasmodium falciparum, alternative conformation 4
Descriptor: Merozoite surface antigens, Merozoite surface protein 1, Merozoite surface protein-1
Authors:Dijkman, P.M, Kudryashev, M.
Deposit date:2020-06-08
Release date:2021-05-19
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the merozoite surface protein 1 from Plasmodium falciparum .
Sci Adv, 7, 2021
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-02-28
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
8IGT
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BU of 8igt by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A1
Descriptor: Butyrophilin subfamily 2 member A1, ZINC ION
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2023-02-21
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
Descriptor: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-05-06
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-27
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
6R8X
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BU of 6r8x by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868
Descriptor: Coagulation factor XI, anti-Factor-XI Fab fragment heavy chain MAA868, anti-Factor-XI Fab fragment light chain MAA868
Authors:Schiering, N, Koch, A.
Deposit date:2019-04-02
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans.
Blood, 133, 2019
5BMV
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BU of 5bmv by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Chen, Q, Zhang, R.
Deposit date:2015-05-23
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
3AQS
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BU of 3aqs by Molmil
Crystal structure of RolR (NCGL1110) without ligand
Descriptor: Bacterial regulatory proteins, tetR family
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
3AQT
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BU of 3aqt by Molmil
CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL
Descriptor: Bacterial regulatory proteins, tetR family, RESORCINOL
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011

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