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8X7A
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BU of 8x7a by Molmil
Treprostinil bound Prostacyclin Receptor G protein complex
Descriptor: 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid, 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:Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C.
Deposit date:2023-11-23
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
6HUS
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BU of 6hus by Molmil
2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 3-fucosyllactose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ZINC ION, ...
Authors:Ejby, M, Abou Hachem, M, Lo Leggio, L, Takane, K, Sakanaka, M.
Deposit date:2018-10-09
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.409 Å)
Cite:Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019
1S4I
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BU of 1s4i by Molmil
Crystal structure of a SOD-like protein from Bacillus subtilis
Descriptor: CHLORIDE ION, ZINC ION, superoxide dismutase-like protein yojM
Authors:Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S.
Deposit date:2004-01-16
Release date:2005-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal.
Proc.Natl.Acad.Sci.Usa, 102, 2005
8I54
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BU of 8i54 by Molmil
Lb2Cas12a RNA DNA complex
Descriptor: DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ...
Authors:Li, J, Sivaraman, J, Satoru, M.
Deposit date:2023-01-24
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2023-12-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
8UKE
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BU of 8uke by Molmil
Crystal Structure of Norbelladine O-methyltransferase variant in complex with SAH
Descriptor: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kim, W, Zhang, Y.J.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Nat Commun, 15, 2024
8V0P
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BU of 8v0p by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-11-17
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.16)
To Be Published
8UK1
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BU of 8uk1 by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer consensus (S-RRAR-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-10-11
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer consensus (S-RRAR-Omicron-XBB.1.16)
To Be Published
8V0T
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BU of 8v0t by Molmil
SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 3 (S-GSAS-Omicron-XBB.1.5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-11-17
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.5 3-RBD down Spike Protein Trimer 3 (S-GSAS-Omicron-XBB.1.5)
To Be Published
8V0O
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BU of 8v0o by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-11-17
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.16)
To Be Published
8V0M
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BU of 8v0m by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 2 (S-RRAR-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-11-17
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 2 (S-RRAR-Omicron-XBB.1.16)
To Be Published
6HUR
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BU of 6hur by Molmil
2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 2'-fucosyllactose
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ...
Authors:Ejby, M, Abou Hachem, M, Lo Leggio, L, Katayama, T, Sakanaka, M.
Deposit date:2018-10-09
Release date:2019-09-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
3VYR
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BU of 3vyr by Molmil
Crystal structure of the HypC-HypD complex
Descriptor: CITRIC ACID, Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
3VYS
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BU of 3vys by Molmil
Crystal structure of the HypC-HypD-HypE complex (form I)
Descriptor: Hydrogenase expression/formation protein HypC, Hydrogenase expression/formation protein HypD, Hydrogenase expression/formation protein HypE, ...
Authors:Watanabe, S, Miki, K.
Deposit date:2012-10-02
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of the HypCD complex and the HypCDE ternary complex: transient intermediate complexes during [NiFe] hydrogenase maturation
Structure, 20, 2012
7RB3
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BU of 7rb3 by Molmil
Cryo-EM structure of human binary NatC complex with a Bisubstrate inhibitor
Descriptor: CARBOXYMETHYL COENZYME *A, LEUCINE, METHIONINE, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2021-07-05
Release date:2023-01-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular role of NAA38 in thermostability and catalytic activity of the human NatC N-terminal acetyltransferase.
Structure, 31, 2023
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
Descriptor: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hoppe, N, Manglik, A, Harrison, S.
Deposit date:2023-04-26
Release date:2024-02-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
7RAP
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BU of 7rap by Molmil
Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin
Descriptor: Heterogeneous-backbone analogue of lasiocepsin
Authors:Cabalteja, C.C, Horne, W.S.
Deposit date:2021-07-02
Release date:2022-05-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold.
Acs Chem.Biol., 17, 2022
6IYK
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BU of 6iyk by Molmil
The structure of EntE with 2-nitrobenzoyl adenylate analog
Descriptor: 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
Authors:Miyanaga, A, Ishikawa, F.
Deposit date:2018-12-17
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
6YV2
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BU of 6yv2 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
Descriptor: (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ruza, R.R, Hillier, J, Jones, E.Y.
Deposit date:2020-04-27
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
8U1D
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BU of 8u1d by Molmil
Cryo-EM structure of vaccine-elicited CD4 binding site antibody DH1285 bound to HIV-1 CH505TFchim.6R.SOSIP.664v4.1 Env Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1285 Heavy Chain, DH1285 Light Chain, ...
Authors:Thakur, B, Stalls, V.D, Acharya, P.
Deposit date:2023-08-31
Release date:2024-01-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Vaccine induction of CD4-mimicking HIV-1 broadly neutralizing antibody precursors in macaques.
Cell, 187, 2024
2VSU
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BU of 2vsu by Molmil
A ternary complex of Hydroxycinnamoyl-CoA Hydratase-Lyase (HCHL) with acetyl-Coenzyme A and vanillin gives insights into substrate specificity and mechanism.
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE
Authors:Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G.
Deposit date:2008-04-29
Release date:2008-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism.
Biochem.J., 414, 2008
8V0L
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BU of 8v0l by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 1 (S-RRAR-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-11-17
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 1 (S-RRAR-Omicron-XBB.1.16)
To Be Published
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
Descriptor: antitoxin higa
Authors:Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
8UIR
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BU of 8uir by Molmil
SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.16)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2023-10-10
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer consensus (S-GSAS-Omicron-XBB.1.16)
To Be Published

223532

건을2024-08-07부터공개중

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