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6TIR
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BU of 6tir by Molmil
NOE based model of hVDAC-1 bound to beta-NADH in detergent micelles
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Voltage-dependent anion-selective channel protein 1
Authors:Boehm, R, Hiller, S, Wagner, G.
Deposit date:2019-11-22
Release date:2019-12-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Structural Basis for Low Conductance in the Membrane Protein VDAC upon beta-NADH Binding and Voltage Gating.
Structure, 28, 2020
9JQI
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BU of 9jqi by Molmil
Crystal structure of calmodulin in complex with KN93 (1:1 complex)
Descriptor: CALCIUM ION, Calmodulin-1, N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide
Authors:Liu, X.C.
Deposit date:2024-09-27
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of calmodulin in complex with KN93 (1:1 complex)
To Be Published
4ZJS
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BU of 4zjs by Molmil
Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A.
Descriptor: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor,Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor
Authors:Talley, T.T, Bobango, J, Wu, J, Park, J.F, Luo, J, Lindsatrom, J, Taylor, P.
Deposit date:2015-04-29
Release date:2015-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2301 Å)
Cite:Main immunogenic region structure promotes binding of conformation-dependent myasthenia gravis autoantibodies, nicotinic acetylcholine receptor conformation maturation, and agonist sensitivity.
J. Neurosci., 29, 2009
6A6F
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BU of 6a6f by Molmil
Crystal structure of Putative iron-sulfur cluster assembly scaffold protein for SUF system (FiSufU) from thermophilic Fervidobacterium Islandicum AW-1
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Iron-sulfur cluster assembly scaffold protein NifU, ...
Authors:Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H.
Deposit date:2018-06-27
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The sulfur formation system mediating extracellular cysteine-cystine recycling in Fervidobacterium islandicum AW-1 is associated with keratin degradation.
Microb Biotechnol, 2020
8FHD
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BU of 8fhd by Molmil
Cryo-EM structure of human voltage-gated sodium channel Nav1.6
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2022-12-14
Release date:2023-02-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of human voltage-gated sodium channel Na v 1.6.
Proc.Natl.Acad.Sci.USA, 120, 2023
7TXA
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BU of 7txa by Molmil
Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ and product F6P
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MANGANESE (II) ION
Authors:Abad-Zapatero, C, Selezneva, A.I.
Deposit date:2022-02-08
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class.
Plos One, 18, 2023
5KGE
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BU of 5kge by Molmil
Crystal structure of PIM1 with inhibitor: 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine
Descriptor: 1,2-ETHANEDIOL, 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
6EJ9
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BU of 6ej9 by Molmil
Human Xylosyltransferase 1 in complex with peptide QEPEGSGGGQGG
Descriptor: PHOSPHATE ION, Protein AMBP, SODIUM ION, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
8AD0
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BU of 8ad0 by Molmil
X-ray structure of Na+-NQR from Vibrio cholerae in different conformation at 3.1 A
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, BROMIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Fritz, G.
Deposit date:2022-07-07
Release date:2023-07-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution
Nat.Struct.Mol.Biol., 2023
6TPA
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BU of 6tpa by Molmil
CDK8/CyclinC in complex with drug ETP-50775
Descriptor: (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ...
Authors:Munoz, I.G, Pastor, J, Martinez, S.
Deposit date:2019-12-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.
Eur.J.Med.Chem., 201, 2020
5K8R
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BU of 5k8r by Molmil
Structure of human clustered protocadherin gamma B3 EC1-4
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Nicoludis, J.M, Vogt, B.E, Gaudet, R.
Deposit date:2016-05-30
Release date:2016-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4.
Elife, 5, 2016
7R3K
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BU of 7r3k by Molmil
Chlamydomonas reinhardtii TSP9 mutant small Photosystem I complex
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Klaiman, D, Schwartz, T, Nelson, N.
Deposit date:2022-02-07
Release date:2023-02-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structure of Photosystem I Supercomplex Isolated from a Chlamydomonas reinhardtii Cytochrome b6f Temperature-Sensitive Mutant.
Biomolecules, 13, 2023
5N7M
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BU of 5n7m by Molmil
Protruding domain of GI.1 norovirus in complex with 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, SODIUM ION, ...
Authors:Hansman, G.S, Koromyslova, A.D.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Human norovirus inhibition by a human milk oligosaccharide.
Virology, 508, 2017
6TKR
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BU of 6tkr by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1704)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
8WG2
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BU of 8wg2 by Molmil
Crystal structure of GH97 glucodextranase mutant E509Q from Flavobacterium johnsoniae in complex with isomaltotriose
Descriptor: CALCIUM ION, Candidate alpha-glucosidase Glycoside hydrolase family 97, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Kurata, R, Nakamura, S, Miyazaki, T.
Deposit date:2023-09-20
Release date:2024-05-08
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into alpha-(1→6)-linkage preference of GH97 glucodextranase from Flavobacterium johnsoniae.
Febs J., 291, 2024
8WMW
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BU of 8wmw by Molmil
The structure of PSI-11CAC at the stationary growth phase
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhang, S.M, Si, L, Li, M.
Deposit date:2023-10-04
Release date:2024-05-29
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
8RO2
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BU of 8ro2 by Molmil
Integrative Structure of the human intron lariat Spliceosome (ILS'')
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX15, CWF19-like protein 1, ...
Authors:Rothe, P, Vorlaender, M.K, Plaschka, C.
Deposit date:2024-01-11
Release date:2024-09-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
4ZTO
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BU of 4zto by Molmil
Fab/epitope complex structure of rabbit monoclonal antibody R53 targeting an epitope in HIV-1 gp120 C4 region
Descriptor: Epitope of rabbit monoclonal antibody R53, RABBIT MONOCLONAL ANTIBODY R53 FAB HEAVY CHAIN, RABBIT MONOCLONAL ANTIBODY R53 FAB LIGHT CHAIN
Authors:Pan, R, Kong, X.-P.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of a novel rabbit monoclonal antibody R53 targeting an epitope in HIV-1 gp120 C4 region critical for receptor and co-receptor binding.
Emerg Microbes Infect, 4, 2015
5KGD
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BU of 5kgd by Molmil
Crystal structure of PIM1 with inhibitor: 2-pyridin-3-yl-1~{H}-benzimidazole
Descriptor: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1~{H}-benzimidazole, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
8ZRZ
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BU of 8zrz by Molmil
The 1.26 angstrom resolution structure of Bacillus cereus beta-amylase in complex with maltose
Descriptor: Beta-amylase, CALCIUM ION, GLYCEROL, ...
Authors:Mikami, B, Hirata, A.
Deposit date:2024-06-05
Release date:2024-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structural insight into sugar-binding modes of microbial ss-amylase.
Biochem.Biophys.Res.Commun., 733, 2024
7MLX
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BU of 7mlx by Molmil
SARS-CoV-2 programmed -1 frameshifting element three stem H-type pseudoknot
Descriptor: BL3-6 Fab Heavy Chain, BL3-6 Fab Light Chain, RNA (65-MER)
Authors:Roman, C, Lewicka, A.
Deposit date:2021-04-29
Release date:2021-08-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The SARS-CoV-2 Programmed -1 Ribosomal Frameshifting Element Crystal Structure Solved to 2.09 angstrom Using Chaperone-Assisted RNA Crystallography.
Acs Chem.Biol., 16, 2021
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
Descriptor: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-01-18
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
Descriptor: Capsid protein P24
Authors:Jacques, D.A, Price, A.J, James, D.A.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
6TUH
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BU of 6tuh by Molmil
PH domain of Bruton's tyrosine kinase bound to compound 1
Descriptor: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-01-07
Release date:2020-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
7U2F
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BU of 7u2f by Molmil
G116F Pseudomonas aeruginosa azurin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Liu, Y, Lu, Y.
Deposit date:2022-02-23
Release date:2023-03-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023

243083

数据于2025-10-15公开中

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