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7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-06
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
8VWU
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BU of 8vwu by Molmil
Nucleosome containing 8oxoG at SHL4
Descriptor: 601 I strand (damaged strand), 601 J strand (non-damaged strand), Histone H2A type 1, ...
Authors:Weaver, T.M, Ling, J.A, Freudenthal, B.D.
Deposit date:2024-02-02
Release date:2024-10-30
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Contributing factors to the oxidation-induced mutational landscape in human cells.
Nat Commun, 15, 2024
6VMK
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BU of 6vmk by Molmil
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Descriptor: Complement factor D, Fab Y49R heavy chain, Fab Y49R light chain, ...
Authors:Wu, P, Harris, S.F, Eigenbrot, C.
Deposit date:2020-01-28
Release date:2021-02-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
5VIV
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BU of 5viv by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP670
Descriptor: 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid, 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
8VGO
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BU of 8vgo by Molmil
CryoEM structure of CD20 in complex with engineered conformationally rigid Rituximab.4DS Fab
Descriptor: B-lymphocyte antigen CD20, Rituximab.4DS Fab heavy chain, Rituximab.4DS Fab light chain
Authors:Kung, J.E, Jao, C.C, Arthur, C.P, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Disulfide constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
7LWR
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BU of 7lwr by Molmil
Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
Descriptor: Terminase, small subunit
Authors:Ortega, M.E.
Deposit date:2021-03-01
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
To Be Published
6VP3
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BU of 6vp3 by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
Authors:Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
5IAT
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BU of 5iat by Molmil
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - apo-BaP4H
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Procollagen-Proline Dioxygenase
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-02-21
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Bacillus anthracis Prolyl 4-Hydroxylase Modifies Collagen-like Substrates in Asymmetric Patterns.
J.Biol.Chem., 291, 2016
8VGI
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BU of 8vgi by Molmil
CryoEM structure of tryptase in complex with engineered conformationally rigid anti-tryptase Fab E104.v1.2DS
Descriptor: Fab E104.v1.2DS heavy chain, Fab E104.v1.2DS light chain, Tryptase alpha/beta-1
Authors:Kung, J.E, Johnson, M.C, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-10-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
8VGN
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BU of 8vgn by Molmil
CryoEM structure of CD20 in complex with wild type Rituximab Fab
Descriptor: B-lymphocyte antigen CD20, Rituximab Fab heavy chain, Rituximab Fab light chain
Authors:Kung, J.E, Jao, C.C, Arthur, C.P, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Disulfide constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
6VRI
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BU of 6vri by Molmil
Crystal Structure of the wtBlc-split Protein
Descriptor: Outer membrane lipoprotein Blc, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Bozhanova, N.G, Meiler, J.
Deposit date:2020-02-07
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Lipocalin Blc is a potential heme-binding protein.
Febs Lett., 595, 2021
5IKM
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BU of 5ikm by Molmil
1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose.
Descriptor: CHLORIDE ION, D-MALATE, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose.
To Be Published
8VIR
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BU of 8vir by Molmil
Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Apo)
Descriptor: FATTY ACID KINASE A
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Bose, J.L.
Deposit date:2024-01-05
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the structure and function of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 300, 2024
8VIP
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BU of 8vip by Molmil
Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Mn and AMP-PNP)
Descriptor: FATTY ACID KINASE A, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Bose, J.L.
Deposit date:2024-01-05
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular insights into the structure and function of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 300, 2024
5IKS
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BU of 5iks by Molmil
Wild-type sperm whale myoglobin with a Fe-phenyl moiety
Descriptor: GLYCEROL, Myoglobin, SULFATE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-03
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
6VR6
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BU of 6vr6 by Molmil
Structure of ALDH9A1 complexed with NAD+ in space group P1
Descriptor: 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Wyatt, J.W, Tanner, J.J.
Deposit date:2020-02-06
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
Arch.Biochem.Biophys., 691, 2020
5IKU
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BU of 5iku by Molmil
Crystal structure of the Hathewaya histolytica ColG tandem collagen-binding domain s3as3b in the presence of calcium at 1.9 Angstrom resolution
Descriptor: CALCIUM ION, Collagenase
Authors:Janowska, K, Bauer, R, Roeser, R, Sakon, J, Matsushita, O.
Deposit date:2016-03-03
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation.
Febs J., 285, 2018
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
Descriptor: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
8VJE
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BU of 8vje by Molmil
Human R14A Pin1 covalently bound to inhibitor 158F10
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Inhibitor 158F10, ...
Authors:Rodriguez, I, Blaha, G.
Deposit date:2024-01-06
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeted degradation of Pin1 by protein-destabilizing compounds.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VIQ
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BU of 8viq by Molmil
Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Mg and AMP-PNP)
Descriptor: FATTY ACID KINASE A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Bose, J.L.
Deposit date:2024-01-05
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular insights into the structure and function of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 300, 2024
8VWJ
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BU of 8vwj by Molmil
The base complex of the AcMNPV baculovirus nucleocapsid (Class 2, localised reconstruction)
Descriptor: 38K (AC98), Capsid-associated protein VP80, Major capsid protein, ...
Authors:Johnstone, B.A, Koszalka, P, Ha, J, Venugopal, H, Coulibaly, F.
Deposit date:2024-02-01
Release date:2024-11-06
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (4.78 Å)
Cite:The nucleocapsid architecture and structural atlas of the prototype baculovirus define the hallmarks of a new viral realm.
Sci Adv, 10, 2024
5VKK
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BU of 5vkk by Molmil
Crystal structure of Fab fragment of anti-CD22 Epratuzumab
Descriptor: Epratuzumab Fab Heavy Chain, Epratuzumab Fab Light Chain
Authors:Sicard, T, Ereno-Orbea, J, Julien, J.P.
Deposit date:2017-04-21
Release date:2017-10-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Molecular basis of human CD22 function and therapeutic targeting.
Nat Commun, 8, 2017
8VJF
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BU of 8vjf by Molmil
Human R14A Pin1 covalently bound to inhibitor 158D9
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Rodriguez, I, Blaha, G.
Deposit date:2024-01-06
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeted degradation of Pin1 by protein-destabilizing compounds.
Proc.Natl.Acad.Sci.USA, 121, 2024
5IBY
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BU of 5iby by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoic acid
Descriptor: LIPOIC ACID, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-22
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate protein ligase A (lplA-2) in complex with lipoic acid
TO BE PUBLISHED
8VWH
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BU of 8vwh by Molmil
Structure of the baculovirus major nucleocapsid protein VP39 (localised reconstruction)
Descriptor: Major capsid protein, ZINC ION
Authors:Johnstone, B.A, Hardy, J.M, Ha, J.H, Venugopal, H, Coulibaly, F.
Deposit date:2024-02-01
Release date:2024-11-06
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:The nucleocapsid architecture and structural atlas of the prototype baculovirus define the hallmarks of a new viral realm.
Sci Adv, 10, 2024

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