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New PDB entries with X-ray structure factor data
8UGO
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BU of 8ugo by Molmil
Structure of the complex between Human LIAS and H-protein in the presence of 5'-deoxyadenosine
Descriptor: 5'-DEOXYADENOSINE, 6-THIOOCTANOIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Esakova, O.A, Warui, D.M, Neti, S.S, Alumasa, J.N, Booker, S.J.
Deposit date:2023-10-05
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for the mechanism of the human lipoyl synthase (LIAS) and its complex with the H-protein
To Be Published
8UUI
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BU of 8uui by Molmil
X-ray structure of Interleukin-23 in complex with peptide 23-446
Descriptor: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joseph, J.S, Sridhar, V.S, Liu, M, Hu, Y, Gatchalian, J.
Deposit date:2023-11-01
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of an Induced Orthosteric Pocket in IL-23: A New Avenue for Non-biological Therapeutic Targeting.
Acs Chem.Biol., 2025
8VWO
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BU of 8vwo by Molmil
Crystal structure of hRpn13 Pru bound with U-shaped peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLY-PRO-GLY-SER-MET-THR-THR, ...
Authors:Chandravanshi, M, Walters, K.J.
Deposit date:2024-02-01
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An adaptive peptide-binding site in ubiquitin receptor hRpn13 revealed by structural studies
Nat Commun, 16, 2025
8YXQ
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BU of 8yxq by Molmil
NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase wild type from Pochonia chlamydosporia 170
Descriptor: (4~{R})-4-methyl-1-(phenylmethyl)piperidin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Shi, M, Zheng, G.
Deposit date:2024-04-02
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase wild type from Pochonia chlamydosporia 170
To Be Published
8YXY
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BU of 8yxy by Molmil
NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase Mutant(M6) from Pochonia chlamydosporia 170
Descriptor: (4~{R})-4-methyl-1-(phenylmethyl)piperidin-3-one, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shi, M, Zheng, G.
Deposit date:2024-04-03
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase wild type from Pochonia chlamydosporia 170
To Be Published
9C19
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BU of 9c19 by Molmil
Structure of human LIAS
Descriptor: 6-THIOOCTANOIC ACID, FE3-S4 CLUSTER, Glycine cleavage system H protein, ...
Authors:Esakova, O.A, Warui, D.M, Neti, S.S, Alumasa, J.N, Booker, S.J.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural basis for the mechanism of the human lipoyl synthase (LIAS) and its complex with the H-protein
To Be Published
9C23
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BU of 9c23 by Molmil
Cyan thermostable protein (CTP) 1.0 at pH 6.5
Descriptor: Cyan thermostable protein 1.0
Authors:Jurkowski, A.J, DeVore, N.M.
Deposit date:2024-05-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cyan Thermal Proteins Derived From Thermal Green Protein.
Proteins, 2025
9C25
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BU of 9c25 by Molmil
Cyan thermostable protein (CTP) 1.0 at pH 8.5
Descriptor: Cyan thermostable protein 1.0, GLYCEROL
Authors:Jurkowski, A.J, Criblez, T.A, DeVore, N.M.
Deposit date:2024-05-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cyan Thermal Proteins Derived From Thermal Green Protein.
Proteins, 2025
9C26
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BU of 9c26 by Molmil
Cyan thermostable protein (CTP) 0.5 at pH 6.5
Descriptor: Cyan thermostable protein 0.5
Authors:Jurkowski, A.J, Brown, A, DeVore, N.M.
Deposit date:2024-05-30
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyan Thermal Proteins Derived From Thermal Green Protein.
Proteins, 2025
9CIR
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BU of 9cir by Molmil
Crystal structure of pyrophosphate-dependent phosphofructokinase from Candidatus Prometheoarchaeum syntrophicum
Descriptor: 6-phosphofructokinase
Authors:Compton, J.A, Yosaatmadja, Y, Bashiri, G, Vickers, C.J, Patrick, W.M.
Deposit date:2024-07-04
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of an unusual, multi-tasking phosphofructokinase from an Asgard archaeon
To Be Published
9CIS
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BU of 9cis by Molmil
Crystal structure of the pyrophosphate-dependent phosphofructokinase from Candidatus Prometheoarchaeum syntrophicum with fructose 6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase
Authors:Compton, J.A, Yosaatmadja, Y, Bashiri, G, Vickers, C.J, Patrick, W.M.
Deposit date:2024-07-04
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and function of an unusual, multi-tasking phosphofructokinase from an Asgard archaeon
To Be Published
9CIT
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BU of 9cit by Molmil
Crystal structure of pyrophosphate-dependent phosphofructokinase from Candidatus Prometheoarchaeum syntrophicum with phosphoenolpyruvate, phosphate and Mg2+
Descriptor: 6-phosphofructokinase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Compton, J.A, Yosaatmadja, Y, Bashiri, G, Vickers, C.J, Patrick, W.M.
Deposit date:2024-07-04
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure and function of an unusual, multi-tasking phosphofructokinase from an Asgard archaeon
To Be Published
9CIV
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BU of 9civ by Molmil
X-Ray Structure of Insulin Analog DETEMIR
Descriptor: CHLORIDE ION, Insulin A chain, Insulin chain B, ...
Authors:Garcia Medina, Y.S, Reyes-Grajeda, J.P.
Deposit date:2024-07-05
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-Ray structure of Insulin Analog DETEMIR
To Be Published
9CIY
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BU of 9ciy by Molmil
Right-left hybrid parallel G-quadruplex from NSD1 promoter
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT HEXAMMINE(III), DI(HYDROXYETHYL)ETHER, ...
Authors:Xing, E.R, Yatsunyk, L.A.
Deposit date:2024-07-05
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a left-right-handed G-quadruplex from the promoter of the NSD1 gene
To be Published
9CJO
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BU of 9cjo by Molmil
X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants
Descriptor: 3C-like proteinase nsp5
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants
To Be Published
9CJP
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BU of 9cjp by Molmil
X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir
To Be Published
9CJQ
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BU of 9cjq by Molmil
X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Ensitrelvir
Descriptor: 1,2-ETHANEDIOL, 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, main protease
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Ensitrelvir
To Be Published
9CJR
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BU of 9cjr by Molmil
X-ray crystal structure of SARS-CoV-2 main protease double mutants in complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 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, CHLORIDE ION, ...
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease double mutants in complex with Ensitrelvir
To Be Published
9CJS
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BU of 9cjs by Molmil
X-ray crystal structure of SARS-CoV-2 main protease triple mutants in complex with Bofutrelvir
Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease triple mutants in complex with Bofutrelvir
To Be Published
9CJT
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BU of 9cjt by Molmil
X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Bofutrelvir
Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Bofutrelvir
To Be Published
9CJU
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BU of 9cju by Molmil
Structure of SARS-CoV-2 main protease in complex with Bofutrelvir in orthorhombic form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural protein 7, ...
Authors:Esler, M.A, Shi, K, Harris, R.S, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:To be published
To Be Published
9CJV
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BU of 9cjv by Molmil
X-ray crystal structure of SARS-CoV-2 main protease complex with Bofutrelvir
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Esler, M.A, Shi, K, Aihara, H.
Deposit date:2024-07-07
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:X-ray crystal structure of SARS-CoV-2 main protease complex with Bofutrelvir
To Be Published
9CR9
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BU of 9cr9 by Molmil
Crystal structure of MA6 Fab in complex with PfCSP repeat region peptide NPNA3
Descriptor: Circumsporozoite protein (NPNA)3 repeat region peptide, MA6 Fab heavy chain, MA6 Fab light chain
Authors:Rush, S.A, McLellan, J.S.
Deposit date:2024-07-21
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Repertoire, function, and structure of serological antibodies induced by the R21/Matrix-M malaria vaccine
To Be Published
9CV2
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BU of 9cv2 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-20 with D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase VIM-20, ZINC ION
Authors:Silwal, S.B, Nix, J.C, Page, R.C.
Deposit date:2024-07-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mutation of an active site-adjacent residue in VIM indirectly dictates interactions with and blunts inhibition by D-captopril.
J.Inorg.Biochem., 271, 2025
9CV3
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BU of 9cv3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-20 with L-captopril
Descriptor: ACETATE ION, L-CAPTOPRIL, Metallo-beta-lactamase VIM-20, ...
Authors:Silwal, S.B, Nix, J.C, Page, R.C.
Deposit date:2024-07-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mutation of an active site-adjacent residue in VIM indirectly dictates interactions with and blunts inhibition by D-captopril.
J.Inorg.Biochem., 271, 2025

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PDB entries from 2025-07-09

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