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PDB: 895 results

8IQU
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BU of 8iqu by Molmil
Structure of MtbFadD23 with PhU-AMS
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23
Authors:Yan, M.R, Zhang, W.
Deposit date:2023-03-17
Release date:2023-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
3QML
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BU of 3qml by Molmil
The structural analysis of Sil1-Bip complex reveals the mechanism for Sil1 to function as a novel nucleotide exchange factor
Descriptor: 78 kDa glucose-regulated protein homolog, MAGNESIUM ION, Nucleotide exchange factor SIL1, ...
Authors:Yan, M, Li, J.Z, Sha, B.D.
Deposit date:2011-02-04
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
3QFP
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BU of 3qfp by Molmil
Crystal structure of yeast Hsp70 (Bip/Kar2) ATPase domain
Descriptor: 78 kDa glucose-regulated protein homolog, PHOSPHATE ION
Authors:Yan, M, Li, J.Z, Sha, B.D.
Deposit date:2011-01-22
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
3QFU
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BU of 3qfu by Molmil
Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP
Descriptor: 78 kDa glucose-regulated protein homolog, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yan, M, Li, J.Z, Sha, B.D.
Deposit date:2011-01-22
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HDF
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BU of 8hdf by Molmil
Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HD4
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BU of 8hd4 by Molmil
Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Yan, M, Zhang, H.
Deposit date:2022-11-08
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
4PSX
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BU of 4psx by Molmil
Crystal structure of histone acetyltransferase complex
Descriptor: COENZYME A, Histone H3, Histone H4, ...
Authors:Yang, M, Li, Y.
Deposit date:2014-03-08
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
4PSW
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BU of 4psw by Molmil
Crystal structure of histone acetyltransferase complex
Descriptor: COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ...
Authors:Yang, M, Li, Y.
Deposit date:2014-03-08
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
7ZNF
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BU of 7znf by Molmil
ALTERNATING ZINC FINGERS IN THE HUMAN MALE ASSOCIATED PROTEIN ZFY: 2D NMR STRUCTURE OF AN EVEN FINGER AND IMPLICATIONS FOR "JUMPING-LINKER" DNA RECOGNITION
Descriptor: ZINC FINGER, ZINC ION
Authors:Kochoyan, M, Keutmann, H.T, Weiss, M.A.
Deposit date:1991-08-22
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Alternating zinc fingers in the human male associated protein ZFY: 2D NMR structure of an even finger and implications for "jumping-linker" DNA recognition.
Biochemistry, 30, 1991
2RET
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BU of 2ret by Molmil
The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the Type 2 Secretion System of Vibrio vulnificus
Descriptor: CHLORIDE ION, EpsJ, Pseudopilin EpsI, ...
Authors:Yanez, M.E, Korotkov, K.V, Abendroth, J, Hol, W.G.J.
Deposit date:2007-09-27
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the type 2 secretion system of Vibrio vulnificus.
J.Mol.Biol., 375, 2008
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
6G32
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BU of 6g32 by Molmil
Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y
Descriptor: GLYCEROL, Geranylgeranyl pyrophosphate synthase
Authors:Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y.
Deposit date:2018-03-24
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.281 Å)
Cite:Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
6G31
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BU of 6g31 by Molmil
Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate
Descriptor: Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID
Authors:Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y.
Deposit date:2018-03-24
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
6PIK
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BU of 6pik by Molmil
Tetrameric cryo-EM ArnA
Descriptor: Bifunctional polymyxin resistance protein ArnA, UDP-4-amino-4-deoxy-L-arabinose formyltransferase
Authors:Yang, M, Gehring, K.
Deposit date:2019-06-26
Release date:2019-07-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Cryo-electron microscopy structures of ArnA, a key enzyme for polymyxin resistance, revealed unexpected oligomerizations and domain movements.
J.Struct.Biol., 208, 2019
6PIH
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BU of 6pih by Molmil
Hexameric ArnA cryo-EM structure
Descriptor: Bifunctional polymyxin resistance protein ArnA, UDP-4-amino-4-deoxy-L-arabinose formyltransferase
Authors:Yang, M, Gehring, K.
Deposit date:2019-06-26
Release date:2019-07-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Cryo-electron microscopy structures of ArnA, a key enzyme for polymyxin resistance, revealed unexpected oligomerizations and domain movements.
J.Struct.Biol., 208, 2019
1HV2
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BU of 1hv2 by Molmil
SOLUTION STRUCTURE OF YEAST ELONGIN C IN COMPLEX WITH A VON HIPPEL-LINDAU PEPTIDE
Descriptor: ELONGIN C, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR
Authors:Botuyan, M.V, Mer, G, Yi, G.-S, Koth, C.M, Case, D.A, Edwards, A.M, Chazin, W.J, Arrowsmith, C.H.
Deposit date:2001-01-05
Release date:2001-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and dynamics of yeast elongin C in complex with a von Hippel-Lindau peptide.
J.Mol.Biol., 312, 2001
8ANC
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BU of 8anc by Molmil
14-3-3 sigma sirtuin-3 phospho-peptide complex
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Weyand, M, Steegborn, C, Debbert, L.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:14-3-3 sigma sirtuin-3 phospho-peptide complex
To Be Published
8ANB
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BU of 8anb by Molmil
14-3-3 sigma sirtuin-1 phospho-peptide complex
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Weyand, M, Steegborn, C, Debbert, L.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:14-3-3 sigma sirtuin-1 phospho-peptide complex
To Be Published
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
Descriptor: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-30
Release date:2007-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
2UXN
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BU of 2uxn by Molmil
Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation
Descriptor: CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Szewczuk, L.M, Gocke, C.B, Brautigam, C.A, Tomchick, D.R, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-28
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Histone Demethylation by Lsd1 Revealed by Suicide Inactivation.
Nat.Struct.Mol.Biol., 14, 2007
7OJY
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BU of 7ojy by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OK1
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BU of 7ok1 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Descriptor: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-14
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021

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