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7MRI
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BU of 7mri by Molmil
Crystal structure of N63T yeast iso-1-cytochrome c
Descriptor: Cytochrome c isoform 1, HEME C
Authors:Lei, H, Bowler, B.E, Evenson, G.E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c.
J.Inorg.Biochem., 232, 2022
8USL
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BU of 8usl by Molmil
Crystal Structure of Kemp Eliminase HG185 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
7OXX
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BU of 7oxx by Molmil
CrabP2 mutant R30AK31A
Descriptor: Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Tomlinson, C.W.E, Basle, A, Pohl, E.
Deposit date:2021-06-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
6MJC
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BU of 6mjc by Molmil
Structure of Candida glabrata Csm1:Dsn1(43-67DD) complex
Descriptor: Kinetochore-associated protein DSN1, Monopolin complex subunit CSM1
Authors:Singh, N, Corbett, K.D.
Deposit date:2018-09-20
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The molecular basis of monopolin recruitment to the kinetochore.
Chromosoma, 128, 2019
8K7Z
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BU of 8k7z by Molmil
De novo design protein -N1
Descriptor: De novo design protein
Authors:Wang, S, Liu, Y.
Deposit date:2023-07-27
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:De novo design protein -N1
To Be Published
7MR7
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BU of 7mr7 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
8QT1
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BU of 8qt1 by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5
Descriptor: (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-12
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
8K7M
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BU of 8k7m by Molmil
De novo design protein -T01
Descriptor: De novo design protein
Authors:Wang, S, Liu, Y.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:De novo design protein -T01
To Be Published
7MNX
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BU of 7mnx by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 2 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6MKH
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BU of 6mkh by Molmil
Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PHOSPHATE ION, pencillin binding protein 4 (PBP4)
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
7MNM
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BU of 7mnm by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) T585M mutant in complex with Fab fragment
Descriptor: Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
8QT3
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BU of 8qt3 by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+
Descriptor: (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-12
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
8QTU
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BU of 8qtu by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+
Descriptor: 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
Deposit date:2023-10-13
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
8V1K
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BU of 8v1k by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Outer-membrane lipoprotein carrier protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-20
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
To be published
5U5O
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BU of 5u5o by Molmil
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)
Descriptor: LPXTG-motif cell wall anchor domain protein
Authors:Paynter, J, Young, P.G, Squire, C.J.
Deposit date:2016-12-07
Release date:2018-06-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
7MNI
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BU of 7mni by Molmil
Crystal structure of the N-terminal domain of NUP88 in complex with NUP98 C-terminal Autoproteolytic Domain
Descriptor: Nuclear pore complex protein Nup88, Nuclear pore complex protein Nup98
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7OW2
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BU of 7ow2 by Molmil
E3 RING ligase binding domain with peptide
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF187 peptide, E3 ubiquitin-protein ligase TRIM7, ...
Authors:James, L.C.
Deposit date:2021-06-16
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:E3 ligase targeting domain
To Be Published
8UZO
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BU of 8uzo by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (ADP bound)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Betaine aldehyde dehydrogenase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (ADP bound)
To be published
8UZ4
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BU of 8uz4 by Molmil
Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 form)
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-14
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 form)
To be published
6MLC
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BU of 6mlc by Molmil
PHD6 domain of MLL3 in complex with histone H4
Descriptor: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
Authors:Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-09-27
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
8K56
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BU of 8k56 by Molmil
Crystal structure of arylamine N-acyltransferase from Streptomyces aureus complexed with acyl-SNAC
Descriptor: SULFATE ION, arylamine N-acyltransferase, ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate
Authors:Ma, B.D, Yan, X, Qu, X, Kong, X.D.
Deposit date:2023-07-21
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of arylamine N-acyltransferase from Streptomyces aureus complexed with acyl-SNAC
To Be Published
8V2T
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BU of 8v2t by Molmil
Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591
Descriptor: 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ...
Authors:Junop, M.S, Brown, C, Szabla, R.
Deposit date:2023-11-23
Release date:2023-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
5CFP
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BU of 5cfp by Molmil
Crystal structure of anemone STING (Nematostella vectensis) 'humanized' F276K in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]'
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon Genes
Authors:Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.066 Å)
Cite:Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
6MLX
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BU of 6mlx by Molmil
Crystal structure of T. pallidum Leucine Rich Repeat protein (TpLRR)
Descriptor: Leucine-rich repeat protein TpLRR
Authors:Ramaswamy, R, Loveless, B.C, Houston, S, Cameron, C.E, Boulanger, M.J.
Deposit date:2018-09-28
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of Treponema pallidum Tp0225 reveals an unexpected leucine-rich repeat architecture.
Acta Crystallogr.,Sect.F, 75, 2019

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