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4ZXD
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BU of 4zxd by Molmil
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD
Descriptor: Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit
Authors:Liu, S, Su, T, Zhang, C, Gu, L.
Deposit date:2015-05-20
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
4ZXC
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BU of 4zxc by Molmil
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+
Descriptor: FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit
Authors:Liu, S, Su, T, Zhang, C, Gu, L.
Deposit date:2015-05-20
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
4ZXA
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BU of 4zxa by Molmil
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile
Descriptor: 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ...
Authors:Liu, S, Su, T, Zhang, C, Gu, L.
Deposit date:2015-05-20
Release date:2015-09-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
5HI5
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BU of 5hi5 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
6CPV
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BU of 6cpv by Molmil
MicroED structure of NaK ion channel reveals a process of Na+ partition into the selectivity filter
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION
Authors:Liu, S, Gonen, T.
Deposit date:2018-03-14
Release date:2018-09-12
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.5 Å)
Cite:MicroED structure of the NaK ion channel reveals a Na+partition process into the selectivity filter.
Commun Biol, 1, 2018
3VEV
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BU of 3vev by Molmil
Glucokinase in complex with an activator and glucose
Descriptor: (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
3VF6
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BU of 3vf6 by Molmil
Glucokinase in complex with glucose and activator
Descriptor: 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
7TD0
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BU of 7td0 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD2
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BU of 7td2 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD3
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BU of 7td3 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD1
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BU of 7td1 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD4
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BU of 7td4 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
6WV5
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BU of 6wv5 by Molmil
Human VKOR C43S mutant with vitamin K1 epoxide
Descriptor: (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV6
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BU of 6wv6 by Molmil
Human VKOR with phenindione
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVH
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BU of 6wvh by Molmil
Human VKOR with Brodifacoum
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV3
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BU of 6wv3 by Molmil
Human VKOR with warfarin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ...
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV4
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BU of 6wv4 by Molmil
Human VKOR C43S with warfarin
Descriptor: S-WARFARIN, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.012 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV8
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BU of 6wv8 by Molmil
Takifugu rubripes VKOR-like C138S mutant with vitamin K1
Descriptor: PHYLLOQUINONE, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVB
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BU of 6wvb by Molmil
Takifugu rubripes VKOR-like with warfarin
Descriptor: S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.872 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
3TG2
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BU of 3tg2 by Molmil
Crystal structure of the ISC domain of VibB in complex with isochorismate
Descriptor: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase
Authors:Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L.
Deposit date:2011-08-17
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
3TB4
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BU of 3tb4 by Molmil
Crystal structure of the ISC domain of VibB
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L.
Deposit date:2011-08-05
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
6WVE
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BU of 6wve by Molmil
Chicken SPCS1
Descriptor: Green fluorescent protein,Chicken Signal Peptidase Complex Subunit 1,Green fluorescent protein
Authors:Liu, S, Li, W.
Deposit date:2020-05-05
Release date:2021-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
6WVF
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BU of 6wvf by Molmil
E.coli DsbB C104S with ubiquinone
Descriptor: Green fluorescent protein,Disulfide bond formation protein B,Green fluorescent protein, UBIQUINONE-1
Authors:Liu, S, Li, W.
Deposit date:2020-05-05
Release date:2021-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
6WVI
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BU of 6wvi by Molmil
VKOR-like from Takifugu rubripes
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV7
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BU of 6wv7 by Molmil
Human VKOR with Chlorophacinone
Descriptor: Chlorophacinone, Vitamin K epoxide reductase, termini restrained by green fluorescent protein
Authors:Liu, S, Sukumar, N, Li, W.
Deposit date:2020-05-05
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021

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