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6O4Y
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BU of 6o4y by Molmil
Structure of HLA-A2:01 with peptide MM91
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Ying, G, Bitra, A, Zajonc, D.M.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients.
Front Immunol, 10, 2019
6O72
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BU of 6o72 by Molmil
Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, TC-I 2014-bound state
Descriptor: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CHOLESTEROL HEMISUCCINATE, ...
Authors:Diver, M.M, Cheng, Y, Julius, D.
Deposit date:2019-03-07
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into TRPM8 inhibition and desensitization.
Science, 365, 2019
5Y3E
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BU of 5y3e by Molmil
Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
Descriptor: GLYCEROL, Replicase polyprotein 1a, SODIUM ION, ...
Authors:Lin, M.H, Chou, C.Y.
Deposit date:2017-07-28
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
6OOR
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BU of 6oor by Molmil
Structure of 1B1 bound to mouse CD1d
Descriptor: Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ...
Authors:Ying, G, Zajonc, D.M.
Deposit date:2019-04-23
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1.
J.Biol.Chem., 294, 2019
6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
Descriptor: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
Authors:Lechtenberg, B.C, Shin, K, Marassi, F.M.
Deposit date:2019-03-01
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
5Y7D
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BU of 5y7d by Molmil
Crystal structure of human Endothelial-overexpressed LPS associated factor 1
Descriptor: CHLORIDE ION, GLYCEROL, Protein CXorf40A, ...
Authors:Park, S.H, Kim, M.J, Park, J.S, Kim, H.J, Han, B.W.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Structure of Human EOLA1 Implies Its Possibility of RNA Binding.
Molecules, 24, 2019
6AMC
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BU of 6amc by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Herger, M.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
2IH1
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BU of 2ih1 by Molmil
Ion selectivity in a semi-synthetic K+ channel locked in the conductive conformation
Descriptor: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB Heavy Chain, FAB Light Chain, ...
Authors:Valiyaveetil, F.I, Leonetti, M, Muir, T.W, MacKinnon, R.
Deposit date:2006-09-25
Release date:2006-11-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ion Selectivity in a Semisynthetic K+ Channel Locked in the Conductive Conformation.
Science, 314, 2006
5N84
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BU of 5n84 by Molmil
TTK kinase domain in complex with Mps-BAY2b
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ...
Authors:Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
Deposit date:2017-02-22
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
6J8M
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BU of 6j8m by Molmil
Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M.
Deposit date:2019-01-20
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
6AM8
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BU of 6am8 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9 with Trp bound as E(Aex2)
Descriptor: SODIUM ION, TRYPTOPHAN, Tryptophan synthase beta chain 1, ...
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AWW
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BU of 6aww by Molmil
Structure of PR 10 Allergen Ara h 8.01 in complex with 3-Hydroxy-2-naphthoic acid
Descriptor: 3-hydroxynaphthalene-2-carboxylic acid, Ara h 8 allergen, SODIUM ION
Authors:Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M.
Deposit date:2017-09-06
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of PR-10 Allergen Ara h 8.01.
To Be Published
4QJE
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BU of 4qje by Molmil
1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ...
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-03
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
Descriptor: GrgF, SODIUM ION
Authors:Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
Deposit date:2020-02-19
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
2IH3
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BU of 2ih3 by Molmil
Ion selectivity in a semi-synthetic K+ channel locked in the conductive conformation
Descriptor: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB Heavy Chain, FAB Light Chain, ...
Authors:Valiyaveetil, F.I, Leonetti, M, Muir, T.W, MacKinnon, R.
Deposit date:2006-09-25
Release date:2006-11-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Ion Selectivity in a Semisynthetic K+ Channel Locked in the Conductive Conformation.
Science, 314, 2006
6MFM
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BU of 6mfm by Molmil
Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with adenosine diphosphate (ADP) and thiamine diphosphate (TPP), orthorhombic crystal form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-09-11
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Sci Rep, 9, 2019
6M38
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BU of 6m38 by Molmil
X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form
Descriptor: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, Antibody fragment 9D5 heavy chain, Antibody fragment 9D5 light chain, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-03-02
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
6M0Z
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BU of 6m0z by Molmil
X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form
Descriptor: Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-02-24
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
5MUR
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BU of 5mur by Molmil
X-ray structure of the F14'A mutant of GLIC in complex with propofol
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ...
Authors:Sauguet, L, Fourati, Z, Delarue, M.
Deposit date:2017-01-13
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
5Y3Q
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BU of 5y3q by Molmil
Crystal structure of SARS coronavirus papain-like protease conjugated with beta-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Replicase polyprotein 1a, ...
Authors:Lin, M.H, Chou, C.Y.
Deposit date:2017-07-29
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
5MFT
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BU of 5mft by Molmil
The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Descriptor: Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C.
Deposit date:2016-11-18
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
5NEQ
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BU of 5neq by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with aminoguanidine
Descriptor: AMINOGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ...
Authors:Huang, L, Wang, J, Lilley, D.M.J.
Deposit date:2017-03-11
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5WZE
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BU of 5wze by Molmil
The structure of Pseudomonas aeruginosa aminopeptidase PepP
Descriptor: 1,2-ETHANEDIOL, ALANINE, Aminopeptidase P, ...
Authors:Bao, R, Peng, C.T, Liu, L, He, L.H, Li, C.C, Li, T, Shen, Y.L, Zhu, Y.B, Song, Y.J.
Deposit date:2017-01-17
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structure-Function Relationship of Aminopeptidase P from Pseudomonas aeruginosa.
Front Microbiol, 8, 2017
6BFK
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BU of 6bfk by Molmil
Caspase-3 Mutant- T245A
Descriptor: AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION
Authors:Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
Deposit date:2017-10-26
Release date:2018-02-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6ML1
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BU of 6ml1 by Molmil
Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
Deposit date:2018-09-26
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019

222415

數據於2024-07-10公開中

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