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7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
1LNQ
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CRYSTAL STRUCTURE OF MTHK AT 3.3 A
Descriptor: CALCIUM ION, POTASSIUM CHANNEL RELATED PROTEIN
Authors:Jiang, Y, Lee, A, Chen, J, Cadene, M, Chait, B.T, Mackinnon, R.
Deposit date:2002-05-03
Release date:2002-06-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:CRYSTAL STRUCTURE AND MECHANISM OF A CALCIUM-GATED POTASSIUM CHANNEL
Nature, 417, 2002
1HTP
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BU of 1htp by Molmil
REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE COMPLEX
Descriptor: 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID, H-PROTEIN
Authors:Pares, S, Cohen-Addad, C.
Deposit date:1995-01-11
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The lipoamide arm in the glycine decarboxylase complex is not freely swinging.
Nat.Struct.Biol., 2, 1995
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2020-08-28
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7K17
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BU of 7k17 by Molmil
Re-refined crystal structure of DNA-dependent protein kinase catalytic subunit complexed with Ku80 C-terminal helix
Descriptor: DNA-dependent protein kinase catalytic subunit, X-ray repair cross-complementing protein 5
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-07
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
7KA2
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BU of 7ka2 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x2)
Descriptor: Fructose-bisphosphate aldolase A
Authors:Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
1HV8
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BU of 1hv8 by Molmil
CRYSTAL STRUCTURE OF A DEAD BOX PROTEIN FROM THE HYPERTHERMOPHILE METHANOCOCCUS JANNASCHII
Descriptor: PUTATIVE ATP-DEPENDENT RNA HELICASE MJ0669, SULFATE ION
Authors:Story, R.M, Li, H, Abelson, J.N.
Deposit date:2001-01-08
Release date:2001-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a DEAD box protein from the hyperthermophile Methanococcus jannaschii.
Proc.Natl.Acad.Sci.USA, 98, 2001
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
Descriptor: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Yang, K, Liu, W.
Deposit date:2020-08-10
Release date:2020-12-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
6C7Y
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Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
7JR3
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BU of 7jr3 by Molmil
SARS-CoV-2 3CL protease crystallized under reducing conditions
Descriptor: 3C-like proteinase
Authors:de Oliveira, R.R, Nascimento, A.F.Z, Zeri, A.C.M, Trivella, D.B.B.
Deposit date:2020-08-11
Release date:2020-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SARS-CoV-2 3CL protease crystallized under reducing conditions.
To be Published
7JSE
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BU of 7jse by Molmil
Adeno-Associated Virus Origin Binding Domain in complex with ssDNA
Descriptor: DNA (5'-D(*TP*TP*TP*T)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7JY7
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BU of 7jy7 by Molmil
Structure of a 12 base pair RecA-D loop complex
Descriptor: DNA (27-MER), DNA (48-MER), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2020-08-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
7K1B
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BU of 7k1b by Molmil
CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex II)
Descriptor: DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-07
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
1L1D
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BU of 1l1d by Molmil
Crystal structure of the C-terminal methionine sulfoxide reductase domain (MsrB) of N. gonorrhoeae pilB
Descriptor: CACODYLATE ION, peptide methionine sulfoxide reductase
Authors:Lowther, W.T, Weissbach, H, Etienne, F, Brot, N, Matthews, B.W.
Deposit date:2002-02-15
Release date:2002-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The mirrored methionine sulfoxide reductases of Neisseria gonorrhoeae pilB.
Nat.Struct.Biol., 9, 2002
1HJU
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BU of 1hju by Molmil
Structure of two fungal beta-1,4-galactanases: searching for the basis for temperature and pH optimum.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-1,4-GALACTANASE, ...
Authors:Le Nours, J, Ryttersgaard, C, Lo Leggio, L, Ostergaard, P.R, Borchert, T.V, Christensen, L.L.H, Larsen, S.
Deposit date:2003-02-27
Release date:2003-06-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Two Fungal Beta-1,4-Galactanases: Searching for the Basis for Temperature and Ph Optimum
Protein Sci., 12, 2003
6BNH
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BU of 6bnh by Molmil
Solution NMR structures of BRD4 ET domain with JMJD6 peptide
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4
Authors:Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L.
Deposit date:2017-11-16
Release date:2017-12-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
1L9X
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BU of 1l9x by Molmil
Structure of gamma-Glutamyl Hydrolase
Descriptor: BETA-MERCAPTOETHANOL, gamma-glutamyl hydrolase
Authors:Li, H, Ryan, T.J, Chave, K.J, Van Roey, P.
Deposit date:2002-03-26
Release date:2002-04-10
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Three-dimensional structure of human gamma -glutamyl hydrolase. A class I glatamine amidotransferase adapted for a complex substate.
J.Biol.Chem., 277, 2002
7K0R
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BU of 7k0r by Molmil
Nucleotide bound SARS-CoV-2 Nsp15
Descriptor: PHOSPHATE ION, URIDINE-5'-MONOPHOSPHATE, Uridylate-specific endoribonuclease
Authors:Pillon, M.C, Stanley, R.E.
Deposit date:2020-09-04
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of the SARS-CoV-2 endoribonuclease Nsp15 reveal insight into nuclease specificity and dynamics.
Nat Commun, 12, 2021
6CBK
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BU of 6cbk by Molmil
X-ray structure of NeoB from Streptomyces fradiae in complex with PMP
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Neamine transaminase NeoN, ...
Authors:Thoden, J.B, Dow, G.T, Holden, H.M.
Deposit date:2018-02-03
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
7JN1
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BU of 7jn1 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 3
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, 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
1HTH
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BU of 1hth by Molmil
The solution structure of cyclic human parathyroid hormone fragment 1-34, NMR, 10 structures
Descriptor: CYCLIC PARATHYROID HORMONE
Authors:Roesch, P, Seidel, G, Schaefer, W, Esswein, A, Hofmann, E.
Deposit date:1997-04-09
Release date:1997-10-15
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The structure of human parathyroid hormone-related protein(1-34) in near-physiological solution.
Febs Lett., 444, 1999
1L8X
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Crystal Structure of Ferrochelatase from the Yeast, Saccharomyces cerevisiae, with Cobalt(II) as the Substrate Ion
Descriptor: COBALT (II) ION, Ferrochelatase
Authors:Karlberg, T, Lecerof, D, Gora, M, Silvegren, G, Labbe-Bois, R, Hansson, M, Al-Karadaghi, S.
Deposit date:2002-03-22
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metal Binding to Saccharomyces cerevisiae Ferrochelatase
Biochemistry, 41, 2002
6CB7
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CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: NICKEL (II) ION, Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CBL
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x-ray structure of NeoB from Streptomyces fradiae in complex with neamine as an external aldimine
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside, CHLORIDE ION, Neamine transaminase NeoN
Authors:Thoden, J.B, Dow, G.T, Holden, H.M.
Deposit date:2018-02-03
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018

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