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7RI0
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BU of 7ri0 by Molmil
Aspergillus fumigatus Enolase Bound to Phosphoenolpyruvate and 2-Phosphoglycerate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION, ...
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-19
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7RHW
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BU of 7rhw by Molmil
Aspergillus fumigatus Enolase Bound to 2-Phosphoglycerate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, MAGNESIUM ION
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-19
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural model of the human plasminogen and Aspergillus fumigatus enolase complex.
Proteins, 90, 2022
7BNV
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BU of 7bnv by Molmil
Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-300
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, Light Chain, ...
Authors:Hall, G, Cowan, R, Carr, M.
Deposit date:2021-01-22
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses.
Front Immunol, 12, 2021
7SHI
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BU of 7shi by Molmil
Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s
Descriptor: AmphL, Amphotericin B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Amaya, J.A, Poulos, T.L.
Deposit date:2021-10-08
Release date:2022-03-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s.
J.Biol.Chem., 298, 2022
6CC9
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BU of 6cc9 by Molmil
NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc
Descriptor: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ...
Authors:Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
Deposit date:2018-02-06
Release date:2018-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
8CSE
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BU of 8cse by Molmil
WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, N-(8-hydroxyoctyl)-4-methoxybenzamide, N-acetyl glucosaminyl transferase, ...
Authors:Forrester, T.J.B, Kimber, M.S.
Deposit date:2022-05-12
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
1C86
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BU of 1c86 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B (R47V,D48N) COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
8BDW
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BU of 8bdw by Molmil
Crystal structure of CnaB2 domain from Lactobacillus plantarum
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ...
Authors:Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S.
Deposit date:2022-10-20
Release date:2023-02-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
4YJZ
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BU of 4yjz by Molmil
Human antibody H2526 in complex with influenza hemagglutinin H1 Solomon Islands/03/2006
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, scFv H2526
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2015-03-03
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Viral receptor-binding site antibodies with diverse germline origins.
Cell, 161, 2015
8E4D
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BU of 8e4d by Molmil
[U:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2022-08-18
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4.19 Å)
Cite:Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
8E4E
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BU of 8e4e by Molmil
[T:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2022-08-18
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4.19 Å)
Cite:Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
6QKC
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BU of 6qkc by Molmil
GluA1/2 In complex with auxiliary subunit gamma-8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-28
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
8E84
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BU of 8e84 by Molmil
Human PCNA mutant- C148S
Descriptor: Proliferating cell nuclear antigen
Authors:Magrino, J, Page, B, Gaubitz, C, Kelch, B.A.
Deposit date:2022-08-25
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A thermosensitive PCNA allele underlies an ataxia-telangiectasia-like disorder.
J.Biol.Chem., 299, 2023
8JBM
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BU of 8jbm by Molmil
Crystal structure of Na+,K+-ATPase in the E1.Mn2+ state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C.
Deposit date:2023-05-09
Release date:2023-08-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
8JBL
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BU of 8jbl by Molmil
Crystal structure of Na+,K+-ATPase in the E1.Mg2+ state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C.
Deposit date:2023-05-09
Release date:2023-08-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
1BXL
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BU of 1bxl by Molmil
STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: BAK PEPTIDE, BCL-XL
Authors:Sattler, M, Liang, H, Nettesheim, D, Meadows, R.P, Harlan, J.E, Eberstadt, M, Yoon, H, Shuker, S.B, Chang, B.S, Minn, A.J, Thompson, C.B, Fesik, S.W.
Deposit date:1996-10-16
Release date:1997-10-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis.
Science, 275, 1997
7R63
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BU of 7r63 by Molmil
Nb82, a nanobody against voltage gated sodium channels Nav1.4 and Nav1.5
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Nanobody Nb82, ...
Authors:Srinivasan, L, Gabelli, S.B.
Deposit date:2021-06-22
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of high-affinity nanobodies specific for Na V 1.4 and Na V 1.5 voltage-gated sodium channel isoforms.
J.Biol.Chem., 298, 2022
8E0P
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BU of 8e0p by Molmil
Crystal structure of mouse APCDD1 in fusion with engineered MBP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, CHLORIDE ION, ...
Authors:Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J.
Deposit date:2022-08-09
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NLL
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BU of 6nll by Molmil
1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14)
Descriptor: 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6QJU
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BU of 6qju by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
Descriptor: 1,2-ETHANEDIOL, 3-bromanyl-2~{H}-indazol-5-amine, Bromodomain-containing protein 3, ...
Authors:Braun, M.B, Stehle, T, Heidrich, J.
Deposit date:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Br-O-modomain (BRD3) halogen binding to a small molecule
To Be Published
4YFW
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BU of 4yfw by Molmil
Structural basis of glycan recognition in neonate-specific rotaviruses
Descriptor: Outer capsid protein VP4
Authors:Hu, L, Prasad, B.V.V.
Deposit date:2015-02-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.
Nat Commun, 6, 2015
6TIU
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BU of 6tiu by Molmil
DROSOPHILA GTP-TUBULIN Y222F MUTANT
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.571 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
7RNA
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BU of 7rna by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO
Descriptor: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7RNG
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BU of 7rng by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITAKD-CHO
Descriptor: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
1BQO
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BU of 1bqo by Molmil
DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS
Descriptor: 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1, ...
Authors:Pikul, S, Dunham, K.L.M, Almstead, N.G, De, B, Natchus, M.G, Anastasio, M.V, Mcphail, S.J, Snider, C.E, Taiwo, Y.O, Rydel, T.J, Dunaway, C.M, Gu, F, Mieling, G.E.
Deposit date:1998-08-17
Release date:1999-08-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent, achiral matrix metalloproteinase inhibitors.
J.Med.Chem., 41, 1998

224004

数据于2024-08-21公开中

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