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4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
Descriptor: Hexokinase-1
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4RIY
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BU of 4riy by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.981 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4RIX
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BU of 4rix by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4MQU
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BU of 4mqu by Molmil
Human GKRP complexed to AMG-3969 and S6P
Descriptor: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
Descriptor: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
Deposit date:2013-09-17
Release date:2014-05-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
6L8D
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BU of 6l8d by Molmil
Hexameric structure of the ATPase subunit of magnesium chelatase
Descriptor: Magnesium-chelatase subunit ChlI
Authors:Gao, Y, Liu, L.
Deposit date:2019-11-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Hexameric structure of the ATPase motor subunit of magnesium chelatase in chlorophyll biosynthesis.
Protein Sci., 29, 2020
6L8I
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BU of 6l8i by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
Authors:Niu, G, Guo, Q, Liu, L.
Deposit date:2019-11-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L8H
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BU of 6l8h by Molmil
Crystal structure of CYP97C1
Descriptor: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
Authors:Niu, G, Guo, Q, Liu, L.
Deposit date:2019-11-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L1H
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BU of 6l1h by Molmil
Crystal structure of light-dependent protochlorophyllide oxidoreductase from Thermosynechococcus elongatus
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
Authors:Dong, C, Wang, X, Liu, L.
Deposit date:2019-09-29
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KZF
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BU of 6kzf by Molmil
Racemic X-ray Structure of Calcicludine
Descriptor: D-calcicludine, Kunitz-type serine protease inhibitor homolog calcicludine
Authors:Qu, Q, Gao, S, Liu, L.
Deposit date:2019-09-24
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Synthesis of Disulfide Surrogate Peptides Incorporating Large-Span Surrogate Bridges Through a Native-Chemical-Ligation-Assisted Diaminodiacid Strategy
Angew.Chem.Int.Ed.Engl., 59, 2020
6L8J
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BU of 6l8j by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V in complex with retinal
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ...
Authors:Niu, G, Guo, Q, Liu, L.
Deposit date:2019-11-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L1G
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BU of 6l1g by Molmil
Crystal structure of light-dependent protochlorophyllide oxidoreductase from Synechocystis sp. PCC 6803
Descriptor: Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Dong, C, Wang, X, Liu, L.
Deposit date:2019-09-29
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MCT
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BU of 6mct by Molmil
A designed pentameric membrane protein stabilized by van der Waals interaction
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, Degrado, W.F.
Deposit date:2018-09-02
Release date:2019-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6M0A
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BU of 6m0a by Molmil
The heme-bound structure of the chloroplast protein At3g03890
Descriptor: AT3G03890 protein, AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Liu, L.
Deposit date:2020-02-20
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Arabidopsis locus AT3G03890 encodes a dimeric beta-barrel protein implicated in heme degradation.
Biochem.J., 2020
6M09
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BU of 6m09 by Molmil
The ligand-free structure of the chloroplast protein At3g03890
Descriptor: AT3G03890 protein
Authors:Wang, J, Liu, L.
Deposit date:2020-02-20
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:The Arabidopsis locus AT3G03890 encodes a dimeric beta-barrel protein implicated in heme degradation.
Biochem.J., 2020
8IRZ
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BU of 8irz by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
8IRY
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BU of 8iry by Molmil
Carbon Sulfoxide lyase
Descriptor: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
8IS0
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BU of 8is0 by Molmil
Carbon Sulfoxide lyase - Y106F
Descriptor: 2-AMINO-ACRYLIC ACID, PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase
Authors:Gong, W.M, Wei, L.L, Liu, L.
Deposit date:2023-03-20
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE.
J.Biol.Chem., 300, 2024
6MQ2
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BU of 6mq2 by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, Degrado, W.F.
Deposit date:2018-10-09
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MPW
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BU of 6mpw by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-1
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
Authors:Mravic, M, Liu, L, DeGrado, W.F.
Deposit date:2018-10-08
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
7DP3
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BU of 7dp3 by Molmil
Human MCM8 N-terminal domain
Descriptor: DNA helicase MCM8, ZINC ION
Authors:Li, J, Liu, L, Liu, Y.
Deposit date:2020-12-17
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
7DPD
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BU of 7dpd by Molmil
Human MCM9 N-terminal domain
Descriptor: DNA helicase MCM9, SODIUM ION, ZINC ION
Authors:Li, J, Liu, L, Liu, Y.
Deposit date:2020-12-18
Release date:2021-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
8IYA
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BU of 8iya by Molmil
Complex of SETDB1-derived peptide bound to UBE2E1
Descriptor: Histone-lysine N-methyltransferase SETDB1, SULFATE ION, Ubiquitin-conjugating enzyme E2 E1
Authors:Du, Y.X, Liu, L.
Deposit date:2023-04-04
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Complex of SETDB1-derived peptide bound to UBE2E1
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PDB entries from 2024-05-15

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