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PDB: 52161 results

1QHD
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CRYSTAL STRUCTURE OF VP6, THE MAJOR CAPSID PROTEIN OF GROUP A ROTAVIRUS
Descriptor: CALCIUM ION, CHLORIDE ION, VIRAL CAPSID VP6, ...
Authors:Mathieu, M, Petitpas, I, Rey, F.A.
Deposit date:1999-04-29
Release date:2001-04-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Atomic structure of the major capsid protein of rotavirus: implications for the architecture of the virion.
EMBO J., 20, 2001
6ZF4
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BU of 6zf4 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF7
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BU of 6zf7 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6Z4R
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BU of 6z4r by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 3-thienylalanine as axial heme ligand
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z4T
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BU of 6z4t by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-Amino-3-(thiazol-5-yl)propanoic acid as axial heme ligand
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ESF
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BU of 6esf by Molmil
Nucleosome : Class 1
Descriptor: DNA (147-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Bilokapic, S, Halic, M.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Histone octamer rearranges to adapt to DNA unwrapping.
Nat. Struct. Mol. Biol., 25, 2018
7QW8
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BU of 7qw8 by Molmil
Adenine-specific DNA methyltransferase M.BseCI
Descriptor: Modification methylase BseCI
Authors:Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
7QW7
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BU of 7qw7 by Molmil
Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex
Descriptor: Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
7QQ7
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BU of 7qq7 by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Levy, C, Kavanagh, M.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
To Be Published
7QW5
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BU of 7qw5 by Molmil
Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex
Descriptor: Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex
Authors:Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
7LD9
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BU of 7ld9 by Molmil
Structure of human GGT1 in complex with ABBA
Descriptor: (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Terzyan, S.S, Hanigan, M.
Deposit date:2021-01-12
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase.
Bioorg.Med.Chem., 73, 2022
6EJN
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BU of 6ejn by Molmil
The KLC2 TPR domain bound to the JIP3 leucine zipper domain
Descriptor: C-Jun-amino-terminal kinase-interacting protein 3, Kinesin light chain 2
Authors:Cockburn, J, Hesketh, S.J, Way, M.
Deposit date:2017-09-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Insights into Kinesin-1 Activation from the Crystal Structure of KLC2 Bound to JIP3.
Structure, 26, 2018
7QW6
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BU of 7qw6 by Molmil
Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex
Descriptor: Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2020-05-07
Release date:2021-05-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
7QXF
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BU of 7qxf by Molmil
Fructose-6-phosphate aldolase (FSA) mutant R134V, S166G, with covalently bound active site ligand
Descriptor: Fructose-6-phosphate aldolase 1
Authors:Dobritzsch, D, Widersten, M, Engel, S.
Deposit date:2022-01-26
Release date:2023-02-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Engineered aldolases catalyzing stereoselective aldol reactions between aryl-substituted ketones and aldehydes
Catalysis Science And Technology, 13, 2023
1QAC
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BU of 1qac by Molmil
CHANGE IN DIMERIZATION MODE BY REMOVAL OF A SINGLE UNSATISFIED POLAR RESIDUE
Descriptor: IMMUNOGLOBULIN LIGHT CHAIN VARIABLE DOMAIN
Authors:Pokkuluri, P.R, Cai, X, Johnson, G, Stevens, F.J, Schiffer, M.
Deposit date:1999-02-25
Release date:2000-02-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Change in dimerization mode by removal of a single unsatisfied polar residue located at the interface.
Protein Sci., 9, 2000
6EE0
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BU of 6ee0 by Molmil
Crystal Structure of SNX23 PX domain
Descriptor: Kinesin-like protein KIF16B
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-12
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
4MML
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BU of 4mml by Molmil
D40A Hfq from Pseudomonas aeruginosa
Descriptor: MAGNESIUM ION, Protein hfq, SULFATE ION, ...
Authors:Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D.
Deposit date:2013-09-09
Release date:2014-07-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability.
Biochemistry Mosc., 79, 2014
1QD6
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BU of 1qd6 by Molmil
OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI
Descriptor: 1-HEXADECANOSULFONIC ACID, CALCIUM ION, OUTER MEMBRANE PHOSPHOLIPASE (OMPLA), ...
Authors:Snijder, H.J, Ubarretxena-Belandia, I, Blaauw, M, Kalk, K.H, Verheij, H.M, Egmond, M.R, Dekker, N, Dijkstra, B.W.
Deposit date:1999-07-09
Release date:1999-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural evidence for dimerization-regulated activation of an integral membrane phospholipase.
Nature, 401, 1999
6Z19
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BU of 6z19 by Molmil
Crystal structure of P8C9 bound to CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2020-05-13
Release date:2021-05-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6EM9
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BU of 6em9 by Molmil
S.aureus ClpC resting state, asymmetric map
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC
Authors:Carroni, M, Mogk, A, Bukau, B, Franke, K.
Deposit date:2017-10-01
Release date:2017-12-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017
1QVO
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BU of 1qvo by Molmil
STRUCTURES OF HLA-A*1101 IN COMPLEX WITH IMMUNODOMINANT NONAMER AND DECAMER HIV-1 EPITOPES CLEARLY REVEAL THE PRESENCE OF A MIDDLE ANCHOR RESIDUE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Li, L, McNicholl, J.M, Bouvier, M.
Deposit date:2003-08-28
Release date:2004-06-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structures of HLA-A*1101 complexed with immunodominant nonamer and decamer HIV-1 epitopes clearly reveal the presence of a middle, secondary anchor residue.
J.Immunol., 172, 2004
6Z98
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BU of 6z98 by Molmil
NMR solution structure of the peach allergen Pru p 1.0101
Descriptor: Major allergen Pru p 1
Authors:Eidelpes, R, Fuehrer, S, Hofer, F, Kamenik, A.S, Liedl, K.R, Tollinger, M.
Deposit date:2020-06-03
Release date:2021-06-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Zeatin Binding of the Peach Allergen Pru p 1 .
J.Agric.Food Chem., 69, 2021
3ZUK
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BU of 3zuk by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN COMPLEX WITH INHIBITOR
Descriptor: 2,2',2''-NITRILOTRIETHANOL, ACETATE ION, CALCIUM ION, ...
Authors:Ferraris, D.M, Sbardella, D, Petrera, A, Marini, S, Amstutz, B, Coletta, M, Sander, P, Rizzi, M.
Deposit date:2011-07-19
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Mycobacterium Tuberculosis Zinc-Dependent Metalloprotease-1 (Zmp1), a Metalloprotease Involved in Pathogenicity.
J.Biol.Chem., 286, 2011
6ZBK
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BU of 6zbk by Molmil
Crystal structure of the human complex between RPAP3 and TRBP
Descriptor: RISC-loading complex subunit TARBP2, RNA polymerase II-associated protein 3
Authors:Charron, C, Abel, Y, Charpentier, B, Rederstorff, M.
Deposit date:2020-06-08
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The interaction between RPAP3 and TRBP reveals a possible involvement of the HSP90/R2TP chaperone complex in the regulation of miRNA activity.
Nucleic Acids Res., 50, 2022

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