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2P3J
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BU of 2p3j by Molmil
Crystal structure of the Arg101Ala mutant protein of Rhesus rotavirus VP8*
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4
Authors:Blanchard, H.
Deposit date:2007-03-09
Release date:2008-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2YAD
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BU of 2yad by Molmil
BRICHOS domain of Surfactant protein C precursor protein
Descriptor: SURFACTANT PROTEIN C BRICHOS DOMAIN
Authors:Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D.
Deposit date:2011-02-18
Release date:2012-02-15
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
2FRX
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BU of 2frx by Molmil
Crystal structure of YebU, a m5C RNA methyltransferase from E.coli
Descriptor: Hypothetical protein yebU
Authors:Erlandsen, H, Nordlund, P, Hallberg, B.M, Johnson, K.A, Ericsson, U.B.
Deposit date:2006-01-20
Release date:2006-08-29
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of the RNA m5C methyltransferase YebU from Escherichia coli reveals a C-terminal RNA-recruiting PUA domain
J.Mol.Biol., 360, 2006
6NPF
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BU of 6npf by Molmil
Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
Descriptor: Enolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D.
Deposit date:2019-01-17
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
6BFZ
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BU of 6bfz by Molmil
Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6BFY
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BU of 6bfy by Molmil
Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6D3L
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BU of 6d3l by Molmil
Crystal structure of unphosphorylated human PKR
Descriptor: Interferon-induced, double-stranded RNA-activated protein kinase
Authors:Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L.
Deposit date:2018-04-16
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
6D3Q
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BU of 6d3q by Molmil
Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D.
Deposit date:2018-04-16
Release date:2019-11-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
6D3K
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BU of 6d3k by Molmil
Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ...
Authors:Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L.
Deposit date:2018-04-16
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
4KAP
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BU of 4kap by Molmil
The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand
Descriptor: 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M.
Deposit date:2013-04-22
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand.
Angew.Chem.Int.Ed.Engl., 52, 2013
3OY8
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BU of 3oy8 by Molmil
Crystal structure of human galectin-1 in complex with lactobionic acid
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-D-gluconic acid
Authors:Blanchard, H, Collins, P.M.
Deposit date:2010-09-23
Release date:2010-11-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
3OYW
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BU of 3oyw by Molmil
Crystal structure of human galectin-1 in complex with thiodigalactoside
Descriptor: Galectin-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Blanchard, H, Collins, P.M.
Deposit date:2010-09-23
Release date:2010-11-03
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
3T2T
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BU of 3t2t by Molmil
Crystal structure of human galectin-1 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: Galectin-1, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-23
Release date:2011-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T1L
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BU of 3t1l by Molmil
Crystal structure of human Galectin-3 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T1M
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BU of 3t1m by Molmil
Crystal structure of human galectin-3 carbohydrate recognition domain in complex with methyl 3-deoxy-2-O-toluoyl-3-N-toluoyl-beta-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
5VWG
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BU of 5vwg by Molmil
Galectin-8 N terminal domain in complex with Methyl 3-O-[1-carboxyethyl]-beta-D-galactopyranoside
Descriptor: Galectin-8, methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Authors:Bohari, M.H, Yu, X, Blanchard, H.
Deposit date:2017-05-21
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Galectin-8 N terminal domain in complex with Methyl 3-O-[1-carboxyethyl]-beta-D-galactopyranoside
To Be Published
3SIT
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BU of 3sit by Molmil
Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
Authors:Blanchard, H, Yu, X.
Deposit date:2011-06-20
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
3SIS
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BU of 3sis by Molmil
Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
Authors:Blanchard, H, Yu, X.
Deposit date:2011-06-20
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
1PAH
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BU of 1pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE DIMER, RESIDUES 117-424
Descriptor: FE (III) ION, PHENYLALANINE HYDROXYLASE
Authors:Stevens, R.C, Erlandsen, H.
Deposit date:1997-10-25
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic domain of human phenylalanine hydroxylase reveals the structural basis for phenylketonuria.
Nat.Struct.Biol., 4, 1997
1DVI
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BU of 1dvi by Molmil
CALPAIN DOMAIN VI WITH CALCIUM BOUND
Descriptor: CALCIUM ION, CALPAIN
Authors:Cygler, M, Blanchard, H, Grochulski, P.
Deposit date:1997-05-15
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Nat.Struct.Biol., 4, 1997
8AIQ
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BU of 8aiq by Molmil
Mpro of SARS COV-2 in complex with the MG-87 inhibitor
Descriptor: CHLORIDE ION, Replicase polyprotein 1ab, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-07-27
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Main Protease SARS-COV-2 in complex with the inhibitor MG-87
To Be Published
8AIV
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BU of 8aiv by Molmil
Mpro of SARS COV-2 in complex with the MG-100 inhibitor
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-07-27
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Main Protease SARS-COV-2 in complex with the inhibitor MG-100
To Be Published
8AIU
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BU of 8aiu by Molmil
Mpro of SARS COV-2 in complex with the MG-97 inhibitor
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-07-27
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Main Protease SARS-COV-2 in complex with the inhibitor MG-97
To Be Published
8AJ0
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BU of 8aj0 by Molmil
Mpro of SARS COV-2 in complex with the RK-90 inhibitor
Descriptor: (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-07-27
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.519 Å)
Cite:Main Protease SARS-COV-2 in complex with the inhibitor RK-90
To Be Published
8AIZ
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BU of 8aiz by Molmil
Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-07-27
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Main Protease SARS-CoV-2 in complex with the inhibitor RK-68
To Be Published

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