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6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
6QIX
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BU of 6qix by Molmil
The crystal structure of Trichuris muris p43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2019-01-21
Release date:2019-06-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
Descriptor: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-shot pink beam serial crystallography: Thaumatin
To Be Published
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
Descriptor: Beta-amylase
Authors:Hofer, G, Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.00004673 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
Descriptor: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8PXV
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BU of 8pxv by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ...
Authors:Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXU
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BU of 8pxu by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: Beta-N-acetylhexosaminidase, CACODYLATE ION
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXT
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BU of 8pxt by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
Descriptor: CADMIUM ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCJ
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BU of 3kcj by Molmil
Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-09-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values
Angew.Chem.Int.Ed.Engl., 50, 2011
3KCL
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BU of 3kcl by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBJ
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BU of 3kbj by Molmil
Room temperature X-ray structure of apo-D-Xylose Isomerase
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3KCO
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BU of 3kco by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBN
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BU of 3kbn by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors and d12-D-glucose in the linear form
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KKX
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BU of 3kkx by Molmil
Neutron structure of human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, Langan, P.A.
Deposit date:2009-11-06
Release date:2010-01-12
Last modified:2023-09-06
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Neutron structure of human carbonic anhydrase II: implications for proton transfer.
Biochemistry, 49, 2010
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
Descriptor: Cytidylate cyclase
Authors:Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2024-02-23
Release date:2024-06-19
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 32, 2024
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
8GAR
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BU of 8gar by Molmil
Nitrosomonas europaea Cytochrome P460 Arg44Ala
Descriptor: ACETATE ION, Cytochrome P460, HEME C
Authors:Bollmeyer, M.M, Lancaster, K.M.
Deposit date:2023-02-23
Release date:2023-07-05
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cytochrome P460 Cofactor Maturation Proceeds via Peroxide-Dependent Post-translational Modification.
J.Am.Chem.Soc., 145, 2023

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