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6VJI
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BU of 6vji by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica
Descriptor: Nei like DNA glycosylase 2, ZINC ION
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2020-01-16
Release date:2020-08-12
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments.
Structure, 29, 2021
5J3T
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BU of 5j3t by Molmil
Crystal structure of S. pombe Dcp2:Dcp1:Edc1 mRNA decapping complex
Descriptor: Edc1, FORMIC ACID, MAGNESIUM ION, ...
Authors:Valkov, E, Muthukumar, S, Chang, C.T, Jonas, S, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-03-31
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Dcp2-Dcp1 mRNA-decapping complex in the activated conformation.
Nat.Struct.Mol.Biol., 23, 2016
6VJV
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BU of 6vjv by Molmil
Crystal structure of the Prochlorococcus phage (myovirus P-SSM2) ferredoxin at 1.6 Angstroms
Descriptor: ACETATE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin, ...
Authors:Olmos Jr, J.L, Campbell, I.J, Miller, M.D, Xu, W, Kahanda, D, Atkinson, J.T, Sparks, N, Bennett, G.N, Silberg, J.J, Phillips Jr, G.N.
Deposit date:2020-01-17
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Prochlorococcusphage ferredoxin: structural characterization and electron transfer to cyanobacterial sulfite reductases.
J.Biol.Chem., 295, 2020
5J4E
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BU of 5j4e by Molmil
Crystal structures reveal signaling states of a short blue light photoreceptor protein PpSB1-LOV (Photoexcited state)
Descriptor: FLAVIN MONONUCLEOTIDE, Sensory box protein
Authors:Granzin, J, Batra-Safferling, R.
Deposit date:2016-04-01
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Signaling States of a Short Blue-Light Photoreceptor Protein PpSB1-LOV Revealed from Crystal Structures and Solution NMR Spectroscopy.
J.Mol.Biol., 428, 2016
6VL7
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BU of 6vl7 by Molmil
Crystal structure of the H583C mutant of GoxA soaked with glycine
Descriptor: DI(HYDROXYETHYL)ETHER, Glycine oxidase, MAGNESIUM ION, ...
Authors:Yukl, E.T.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase.
J.Biol.Chem., 295, 2020
6W0G
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BU of 6w0g by Molmil
Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6NNN
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BU of 6nnn by Molmil
Xanthomonas citri Dephospho-PGM in complex with glucose-1-phosphate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2019-01-15
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
6VMT
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BU of 6vmt by Molmil
Leishmania major Programmed Cell Death Protein 5 Homolog
Descriptor: Programmed Cell Death Protein 5 Homolog
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-01-28
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Leishmania major Programmed Cell Death Protein 5 Homolog
To be published
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
Authors:Ter Haar, E.
Deposit date:2016-04-01
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5JKN
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BU of 5jkn by Molmil
Crystal structure of deubiquitinase MINDY-1
Descriptor: DI(HYDROXYETHYL)ETHER, MERCURY (II) ION, PHOSPHATE ION, ...
Authors:Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2016-04-26
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:MINDY-1 Is a Member of an Evolutionarily Conserved and Structurally Distinct New Family of Deubiquitinating Enzymes.
Mol.Cell, 63, 2016
6VOB
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BU of 6vob by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, AZIDE ION, Streptavidin, ...
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:2020-01-30
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
8EVE
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BU of 8eve by Molmil
HUMAN DNA POLYMERASE ETA INSERTION COMPLEX
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2022-10-20
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta.
J.Biol.Chem., 299, 2023
6NR1
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BU of 6nr1 by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2019-01-22
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
To Be Published
5JKT
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BU of 5jkt by Molmil
vaccinia virus D4 P173G mutant /A20(1-50)
Descriptor: ACETATE ION, DNA polymerase processivity factor component A20, SULFATE ION, ...
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F.
Deposit date:2016-04-26
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
8J51
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BU of 8j51 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase in complex with galactose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
5J5R
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BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-04-03
Release date:2016-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
8J50
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BU of 8j50 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
8J52
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BU of 8j52 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase mutant D304A in complex with alpha-1,4-galactobiose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
6VSD
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BU of 6vsd by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13)
Descriptor: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VSG
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BU of 6vsg by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17)
Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6W2A
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BU of 6w2a by Molmil
1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
Descriptor: (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Authors:Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
5JNU
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BU of 5jnu by Molmil
Crystal structure of mouse Low-Molecular Weight Protein Tyrosine Phosphatase type A (LMPTP-A) complexed with phosphate
Descriptor: Low molecular weight phosphotyrosine protein phosphatase, PHOSPHATE ION
Authors:Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
Deposit date:2016-04-30
Release date:2017-03-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.535 Å)
Cite:Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
6NVC
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BU of 6nvc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
Descriptor: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-02-04
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
To Be Published
8J53
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BU of 8j53 by Molmil
Crystal structure of Bacteroides salyersiae GH31 alpha-galactosidase
Descriptor: GH31 alpha-galactosidase
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
6NW2
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BU of 6nw2 by Molmil
Structure of human RIPK1 kinase domain in complex with compound 11
Descriptor: (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-05
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019

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