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6MOD
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BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
Descriptor: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
8IX0
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BU of 8ix0 by Molmil
Cryo-EM structure of unprotonated LHCII nanodisc at high pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IX2
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BU of 8ix2 by Molmil
Cryo-EM structure of unprotonated LHCII nanodisc at low pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IWX
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BU of 8iwx by Molmil
Cryo-EM structure of unprotonated LHCII in detergent solution at high pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IWY
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BU of 8iwy by Molmil
Cryo-EM structure of protonated LHCII in detergent solution at low pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IWZ
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BU of 8iwz by Molmil
Cryo-EM structure of unprotonated LHCII in detergent solution at low pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IX1
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BU of 8ix1 by Molmil
Cryo-EM structure of protonated LHCII nanodisc at low pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
Descriptor: Endolysin, ZINC ION
Authors:Chen, X, Chen, S.
Deposit date:2021-01-17
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
3LRA
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BU of 3lra by Molmil
Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3
Descriptor: Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C
Authors:Yang, X, Xie, X, Shen, Y, Long, J.
Deposit date:2010-02-10
Release date:2010-11-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for tandem L27 domain-mediated polymerization
Faseb J., 24, 2010
3LHG
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BU of 3lhg by Molmil
Bace1 in complex with the aminohydantoin Compound 4g
Descriptor: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2010-01-22
Release date:2010-04-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8EFN
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BU of 8efn by Molmil
Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
Authors:Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
Deposit date:2022-09-08
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8EFM
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BU of 8efm by Molmil
Structure of coral STING receptor from Stylophora pistillata in complex with 2',3'-cGAMP
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
Deposit date:2022-09-08
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
3MVI
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BU of 3mvi by Molmil
Crystal structure of holo mADA at 1.6 A resolution
Descriptor: Adenosine deaminase, GLYCEROL, ZINC ION
Authors:Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C.
Deposit date:2010-05-04
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The role of Zn2+ on the structure and stability of murine adenosine deaminase.
J.Phys.Chem.B, 114, 2010
6AOC
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BU of 6aoc by Molmil
Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-08-15
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H.
Eur J Med Chem, 141, 2017
7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ...
Authors:Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
Deposit date:2020-08-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
8GJW
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BU of 8gjw by Molmil
Structure of a cGAS-like receptor Cv-cGLR1 from C. virginica
Descriptor: SULFATE ION, cGAS-like receptor 1
Authors:Li, Y, Morehouse, B.R, Slavik, K.M, Liu, J, Toyoda, H, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJY
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BU of 8gjy by Molmil
Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata
Descriptor: cGAS-like receptor 1
Authors:Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJX
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BU of 8gjx by Molmil
Structure of the human STING receptor bound to 2'3'-cUA
Descriptor: 2'3'-cUA, Stimulator of interferon genes protein
Authors:Morehouse, B.R, Li, Y, Slavik, K.M, Toyoda, H, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJZ
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BU of 8gjz by Molmil
Structure of a STING receptor from S. pistillata Sp-STING1 bound to 2'3'-cUA
Descriptor: 2'3'-cUA, Stimulator of interferon genes protein
Authors:Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
6CKB
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BU of 6ckb by Molmil
Crystal structure of an extended beta3 integrin P33
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ...
Authors:Zhou, D, Zhu, J.
Deposit date:2018-02-27
Release date:2018-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of an extended beta3integrin.
Blood, 132, 2018
8G9Q
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BU of 8g9q by Molmil
Tricomplex of Compound-1, KRAS G12C, and CypA
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-02-21
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
8G9P
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BU of 8g9p by Molmil
Tricomplex of RMC-4998, KRAS G12C, and CypA
Descriptor: (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2023-02-21
Release date:2023-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
6CA4
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BU of 6ca4 by Molmil
Crystal structure of humanized D. rerio TDP2 by 14 mutations
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ...
Authors:Shi, K, Aihrara, H.
Deposit date:2018-01-29
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
7E59
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BU of 7e59 by Molmil
interferon-inducible anti-viral protein truncated
Descriptor: Guanylate-binding protein 5
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E58
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BU of 7e58 by Molmil
interferon-inducible anti-viral protein 2
Descriptor: Guanylate-binding protein 2
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021

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