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8OKA
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BU of 8oka by Molmil
Human Mitochondrial Lon Y394F Mutant ADP Bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-03-28
Release date:2024-04-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
1H1P
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BU of 1h1p by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058
Descriptor: 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
8OM7
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BU of 8om7 by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-03-31
Release date:2024-04-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
1H1R
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BU of 1h1r by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086
Descriptor: 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
Deposit date:2002-07-21
Release date:2002-09-19
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Nat. Struct. Biol., 9, 2002
8OJL
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BU of 8ojl by Molmil
Human Mitochondrial Lon Y394E Mutant ADP Bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-03-24
Release date:2024-04-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OVG
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BU of 8ovg by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
Descriptor: Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-04-26
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.47 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OVF
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BU of 8ovf by Molmil
Human Mitochondrial Lon Y186F Mutant ADP Bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-04-26
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.23 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8PI2
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BU of 8pi2 by Molmil
Native alpha-1-antitrypsin at 1.5 Angstrom (Cys232Ser)
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antitrypsin, DIMETHYL SULFOXIDE, ...
Authors:Wang, M, Irving, J.A.
Deposit date:2023-06-20
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
8Q1Z
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BU of 8q1z by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
Descriptor: 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile, Serine/threonine-protein kinase VRK2
Authors:Wang, G.Q, Amrhein, J.A, Knapp, S.
Deposit date:2023-08-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
To Be Published
2J8G
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BU of 2j8g by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a tetrasaccharide- pentapeptide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, D-GLUTAMIC ACID, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8F
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BU of 2j8f by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, ALANINE, D-GLUTAMIC ACID, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXU
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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
8OX5
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BU of 8ox5 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX9
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BU of 8ox9 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC
Descriptor: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX8
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BU of 8ox8 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation
Descriptor: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OXC
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BU of 8oxc by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX7
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BU of 8ox7 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation
Descriptor: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OXA
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BU of 8oxa by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS
Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
Deposit date:2023-05-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8Q4E
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BU of 8q4e by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain
Descriptor: HbP1
Authors:Rehman, S, Garnett, J.A.
Deposit date:2023-08-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
8SF8
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BU of 8sf8 by Molmil
Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide
Descriptor: N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R.
Deposit date:2023-04-10
Release date:2024-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase.
J.Med.Chem., 67, 2024
7JM9
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BU of 7jm9 by Molmil
Sheep Connexin-50 at 2.5 angstroms reoslution, Lipid Class 2
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-07-31
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4LZM
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BU of 4lzm by Molmil
COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
Deposit date:1991-01-25
Release date:1992-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
7JN0
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BU of 7jn0 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 2
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.A, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-08-03
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
8FE5
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BU of 8fe5 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine B
Descriptor: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1YVF
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BU of 1yvf by Molmil
Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
Descriptor: (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J.
Deposit date:2005-02-15
Release date:2005-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005

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