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7BE2
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BU of 7be2 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6)
Descriptor: ACETATE ION, GLYCEROL, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
8AR4
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BU of 8ar4 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-15
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
7BE1
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BU of 7be1 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
8ATP
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BU of 8atp by Molmil
Small molecule stabilizer (1075481) for ERalpha and 14-3-3
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Vandenboorn, E.M.F, Visser, E.J, Ottmann, C.
Deposit date:2022-08-23
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
1U6A
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BU of 1u6a by Molmil
Crystal Structure of the Broadly Neutralizing Anti-HIV Fab F105
Descriptor: F105 HEAVY CHAIN, F105 LIGHT CHAIN
Authors:Wilkinson, R.A, Piscitelli, C, Teintze, M, Lawrence, C.M.
Deposit date:2004-07-29
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure of the Fab fragment of F105, a broadly reactive anti-human immunodeficiency virus (HIV) antibody that recognizes the CD4 binding site of HIV type 1 gp120.
J.Virol., 79, 2005
7BE0
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BU of 7be0 by Molmil
X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ...
Authors:Loreto, D, Merlino, A, Ferraro, G.
Deposit date:2020-12-22
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
8AUS
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BU of 8aus by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-25
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8AV4
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BU of 8av4 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075305)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
6W1N
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BU of 6w1n by Molmil
Pig Ryanodine Receptor (WT) in 5mM EGTA condition
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION
Authors:Woll, K.W, Haji-Ghassemi, O, Van Petegem, F.
Deposit date:2020-03-04
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
6NF4
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BU of 6nf4 by Molmil
Structure of zebrafish Otop1 in nanodiscs
Descriptor: CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, Otopetrin1
Authors:Saotome, K, Lee, W.H, Liman, E.R, Ward, A.B.
Deposit date:2018-12-18
Release date:2019-06-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structures of the otopetrin proton channels Otop1 and Otop3.
Nat.Struct.Mol.Biol., 26, 2019
7XN7
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BU of 7xn7 by Molmil
RNA polymerase II elongation complex containing Spt4/5, Elf1, Spt6, Spn1 and Paf1C
Descriptor: Chromatin elongation factor SPT5, Component of the Paf1p complex, Constituent of Paf1 complex with RNA polymerase II, ...
Authors:Ehara, H, Kujirai, T, Shirouzu, M, Kurumizaka, H, Sekine, S.
Deposit date:2022-04-28
Release date:2022-09-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of nucleosome disassembly and reassembly by RNAPII elongation complex with FACT.
Science, 377, 2022
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, L, Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
5FTK
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BU of 5ftk by Molmil
Cryo-EM structure of human p97 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
8ALV
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BU of 8alv by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076403)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
6JFZ
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BU of 6jfz by Molmil
GluK3 receptor complex with UBP310
Descriptor: Glutamate receptor ionotropic, kainate 3
Authors:Kumari, J, Kumar, J.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural and Functional Insights into GluK3-kainate Receptor Desensitization and Recovery.
Sci Rep, 9, 2019
7BL1
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BU of 7bl1 by Molmil
human complex II-BATS bound to membrane-attached Rab5a-GTP
Descriptor: Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O.
Deposit date:2021-01-17
Release date:2021-03-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
6W4H
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BU of 6w4h by Molmil
1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2
Descriptor: 2'-O-methyltransferase, ACETATE ION, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-10
Release date:2020-03-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
6T3F
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BU of 6t3f by Molmil
Crystal structure Nipah virus fusion glycoprotein in complex with a neutralising Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab66 heavy chain, ...
Authors:Avanzato, V.A, Pryce, R, Walter, T.S, Bowden, T.A.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A structural basis for antibody-mediated neutralization of Nipah virus reveals a site of vulnerability at the fusion glycoprotein apex.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AI0
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BU of 8ai0 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3sigma (1080268)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-07-25
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
6T4R
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BU of 6t4r by Molmil
Crystal structure of Trypanosoma brucei Morn1
Descriptor: MORN repeat-containing protein 1
Authors:Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
7P00
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BU of 7p00 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
Descriptor: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
Deposit date:2021-06-29
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
5FQ8
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BU of 5fq8 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-decanoyloxypropyl decanoate, BT_2262 (UNCHARACTERISED LIPOPROTEIN), ...
Authors:Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018

224004

数据于2024-08-21公开中

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