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6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
Descriptor: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
Authors:Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2018-06-25
Release date:2018-08-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
7DAJ
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BU of 7daj by Molmil
The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa
Descriptor: ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic
Authors:Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
Deposit date:2020-10-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DAI
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BU of 7dai by Molmil
The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa
Descriptor: Serotonin N-acetyltransferase 1, chloroplastic
Authors:Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
Deposit date:2020-10-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DAL
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BU of 7dal by Molmil
The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa
Descriptor: ACETYL COENZYME *A, SEROTONIN, Serotonin N-acetyltransferase 1, ...
Authors:Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
Deposit date:2020-10-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7X7R
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BU of 7x7r by Molmil
Cryo-EM structure of a bacterial protein
Descriptor: RAMP superfamily protein, RNA (36-MER), RNA (5'-R(P*AP*GP*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*G)-3'), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-10
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7DAK
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BU of 7dak by Molmil
The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, ...
Authors:Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
Deposit date:2020-10-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7X8A
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BU of 7x8a by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-11
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7XC7
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BU of 7xc7 by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-23
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7X7A
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BU of 7x7a by Molmil
Cryo-EM structure of SbCas7-11 in complex with crRNA and target RNA
Descriptor: RAMP superfamily protein, RNA (33-MER), ZINC ION
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-09
Release date:2022-11-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
6HU9
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BU of 6hu9 by Molmil
III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ...
Authors:Hartley, A.M, Pinotsis, N, Marechal, A.
Deposit date:2018-10-05
Release date:2018-12-26
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1.
Nat. Struct. Mol. Biol., 26, 2019
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4TLW
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BU of 4tlw by Molmil
CARDS TOXIN, FULL-LENGTH
Descriptor: ADP-ribosylating toxin CARDS
Authors:Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J.
Deposit date:2014-05-30
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
7YJ0
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BU of 7yj0 by Molmil
Structural basis of oxepinone formation by a flavin-monooxygenase VibO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, VibO
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2022-07-18
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A flavin-monooxygenase catalyzing oxepinone formation and the complete biosynthesis of vibralactone.
Nat Commun, 14, 2023
4Q9Z
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BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Descriptor: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
Authors:Argiriadi, M.A, George, D.M.
Deposit date:2014-05-02
Release date:2014-07-02
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
3UVE
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BU of 3uve by Molmil
Crystal structure of Carveol dehydrogenase ((+)-trans-carveol dehydrogenase) from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, Carveol dehydrogenase ((+)-trans-carveol dehydrogenase), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-29
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4TLV
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BU of 4tlv by Molmil
CARDS TOXIN, NICKED
Descriptor: ACETATE ION, ADP-ribosylating toxin CARDS, GLYCEROL, ...
Authors:Taylor, A.B, Pakhomova, O.N, Hart, P.J.
Deposit date:2014-05-30
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
8IMX
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BU of 8imx by Molmil
Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, Y, Li, T, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, T, Xu, Y, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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
6MYN
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BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
Descriptor: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Harris, S.F, Smith, M, Barker, J.
Deposit date:2018-11-01
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.744 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
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
8VH4
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BU of 8vh4 by Molmil
Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 monomer state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ...
Authors:Zhu, H, Sun, J.
Deposit date:2023-12-30
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024
8VH5
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BU of 8vh5 by Molmil
Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 dimer state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ...
Authors:Zhu, H, Sun, J.
Deposit date:2023-12-30
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024

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