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PDB: 144 results

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
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
3PAH
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BU of 3pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND ADRENALINE INHIBITOR
Descriptor: 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol, FE (III) ION, PHENYLALANINE HYDROXYLASE
Authors:Erlandsen, H, Flatmark, T, Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2013-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
1QDU
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BU of 1qdu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK
Descriptor: CASPASE-8 ALPHA-CHAIN, CASPASE-8 BETA-CHAIN, PHQ-GLU-VAL-ASP-DICHLOROMETHYLKETONE INHIBITOR
Authors:Blanchard, H, Grutter, M.G.
Deposit date:1999-07-10
Release date:2000-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The three-dimensional structure of caspase-8: an initiator enzyme in apoptosis.
Structure Fold.Des., 7, 1999
4PAH
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BU of 4pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND NOR-ADRENALINE INHIBITOR
Descriptor: FE (III) ION, L-NOREPINEPHRINE, PHENYLALANINE HYDROXYLASE
Authors:Erlandsen, H, Flatmark, T, Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
1TG2
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BU of 1tg2 by Molmil
Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-28
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TDW
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BU of 1tdw by Molmil
Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T.
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-24
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1F9E
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BU of 1f9e by Molmil
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
Descriptor: (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN
Authors:Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G.
Deposit date:2000-07-10
Release date:2001-07-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
1DMW
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BU of 1dmw by Molmil
CRYSTAL STRUCTURE OF DOUBLE TRUNCATED HUMAN PHENYLALANINE HYDROXYLASE WITH BOUND 7,8-DIHYDRO-L-BIOPTERIN
Descriptor: 7,8-DIHYDROBIOPTERIN, FE (III) ION, PHENYLALANINE HYDROXYLASE
Authors:Erlandsen, H, Stevens, R.C, Flatmark, T.
Deposit date:1999-12-15
Release date:2000-03-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and site-specific mutagenesis of pterin-bound human phenylalanine hydroxylase.
Biochemistry, 39, 2000
7ALO
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BU of 7alo by Molmil
Structure of B*27:09/photoRL9
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Loll, B, Lan, H, Freund, C.
Deposit date:2020-10-07
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules.
Nat Commun, 12, 2021
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
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
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
3TAY
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BU of 3tay by Molmil
Crystal structure of porcine rotavirus CRW-8 VP8* in complex with N-glycolylneuraminic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZAMIDINE, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
3TB0
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BU of 3tb0 by Molmil
Crystal structure of Rhesus Rotavirus VP8* in complex with N-Glycolylneuraminic acid
Descriptor: GLYCEROL, Outer capsid protein VP4, PENTAETHYLENE GLYCOL, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
1AJ5
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BU of 1aj5 by Molmil
CALPAIN DOMAIN VI APO
Descriptor: CALPAIN
Authors:Cygler, M, Grochulski, P, Blanchard, H.
Deposit date:1997-05-15
Release date:1998-05-20
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
4UG1
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BU of 4ug1 by Molmil
GpsB N-terminal domain
Descriptor: CELL CYCLE PROTEIN GPSB, IMIDAZOLE, NICKEL (II) ION
Authors:Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Muller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
6UGT
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BU of 6ugt by Molmil
Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a I-centered orthorhombic crystal form, Lot A
Descriptor: 1,2-ETHANEDIOL, PF06438179 Fab Heavy Chain, PF06438179 Fab Light Chain
Authors:Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.D.
Deposit date:2019-09-26
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020

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