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6J6K
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BU of 6j6k by Molmil
Apo-state streptavidin
Descriptor: Streptavidin
Authors:Fan, X, Wang, J, Lei, J.L, Wang, H.W.
Deposit date:2019-01-15
Release date:2019-05-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
2ZL7
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BU of 2zl7 by Molmil
Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Descriptor: 58 kd capsid protein, ACETATE ION, CALCIUM ION, ...
Authors:Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V.
Deposit date:2008-04-02
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus
Proc.Natl.Acad.Sci.Usa, 105, 2008
2M9F
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BU of 2m9f by Molmil
NMR solution structure of Pin1 WW domain mutant 5-1g
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
Deposit date:2013-06-07
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
6P3A
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BU of 6p3a by Molmil
Crystal Structure Analysis of TAF1 Bromodomain
Descriptor: 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6AT0
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BU of 6at0 by Molmil
Chromodomain HP1 with a p-nitro-L-phenylalanine mutation at position 24 bound to histone H3 peptide containing trimethyl lysine
Descriptor: Heterochromatin protein 1, trimethyl lysine histone H3 tail peptide
Authors:Brustad, E.M, Baril, S.A, Waters, M.L.
Deposit date:2017-08-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.285 Å)
Cite:Investigation of Trimethyllysine Binding by the HP1 Chromodomain via Unnatural Amino Acid Mutagenesis.
J. Am. Chem. Soc., 139, 2017
6AUL
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BU of 6aul by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b
Descriptor: BIOTIN, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
6AUU
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BU of 6auu by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
7L7F
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BU of 7l7f by Molmil
Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
2ZDY
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BU of 2zdy by Molmil
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S.
Deposit date:2007-12-01
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
7KNT
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BU of 7knt by Molmil
CryoEM structure of the apo-CGRP receptor in a detergent micelle
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1
Authors:Belousoff, M.J, Danev, R.
Deposit date:2020-11-06
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure and dynamics of the CGRP receptor in apo and peptide-bound forms.
Science, 372, 2021
6AUR
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BU of 6aur by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
7L7K
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BU of 7l7k by Molmil
Cryo-EM structure of protein encoded by vaccine candidate BNT162b2
Descriptor: Spike glycoprotein
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
6AV5
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BU of 6av5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
5TL4
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BU of 5tl4 by Molmil
Crystal structure of Sphingomonas paucimobilis aryl O-demethylase LigM
Descriptor: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kohler, A.C, Adams, P.D, Simmons, B.A, Sale, K.L.
Deposit date:2016-10-10
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structure of aryl O-demethylase offers molecular insight into a catalytic tyrosine-dependent mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6PF1
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BU of 6pf1 by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
Descriptor: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
Authors:Gardberg, A.S.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
2M07
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BU of 2m07 by Molmil
NMR structure of OmpX in DPC micelles
Descriptor: Outer membrane protein X
Authors:Hagn, F.X, Etzkorn, M, Raschle, T, Wagner, G, Membrane Protein Structures by Solution NMR (MPSbyNMR)
Deposit date:2012-10-21
Release date:2012-12-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins.
J.Am.Chem.Soc., 135, 2013
5TME
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BU of 5tme by Molmil
Crystal structure of Os79 from O. sativa in complex with UDP.
Descriptor: Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE
Authors:Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I.
Deposit date:2016-10-12
Release date:2016-11-02
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
7KYB
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BU of 7kyb by Molmil
Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E1-ADP state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H.
Deposit date:2020-12-07
Release date:2021-01-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
5TA3
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BU of 5ta3 by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 2)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-09
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6OYZ
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BU of 6oyz by Molmil
Crystal structure of MraY bound to capuramycin
Descriptor: (2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Mashalidis, E.H, Lee, S.Y.
Deposit date:2019-05-15
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Chemical logic of MraY inhibition by antibacterial nucleoside natural products.
Nat Commun, 10, 2019
5TB2
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BU of 5tb2 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 2)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-11
Release date:2016-10-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6IY8
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BU of 6iy8 by Molmil
DmpR-phenol complex of Pseudomonas putida
Descriptor: PHENOL, Positive regulator CapR, ZINC ION
Authors:Park, K.H, Woo, E.J.
Deposit date:2018-12-13
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Tetrameric architecture of an active phenol-bound form of the AAA+transcriptional regulator DmpR.
Nat Commun, 11, 2020
6J32
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BU of 6j32 by Molmil
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
Descriptor: Kcn28
Authors:Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M.
Deposit date:2019-01-03
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genome mining and biosynthesis of kitacinnamycins as a STING activator.
Chem Sci, 10, 2019

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数据于2024-09-04公开中

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