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4CMO
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BU of 4cmo by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 2-((1R)-1-((3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl) oxy)ethyl)-4-fluoro-N-methylbenzamide
Descriptor: 2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
Deposit date:2014-01-16
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
3LH3
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BU of 3lh3 by Molmil
DFP modified DegS delta PDZ
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7S7K
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BU of 7s7k by Molmil
Crystal structure of the EphB2 extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, ...
Authors:Xu, Y, Xu, K, Nikolov, D.B.
Deposit date:2021-09-16
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism.
Int J Mol Sci, 22, 2021
7SBQ
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BU of 7sbq by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Kappa variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SF2
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BU of 7sf2 by Molmil
Crystal Structure of Beta-Galactosidase from Bacteroides cellulosilyticus
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kim, Y, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2021-10-02
Release date:2021-11-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of Beta-Galactosidase from Bacteroides cellulosilyticus
To Be Published
7SBP
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BU of 7sbp by Molmil
Closed state of pre-fusion SARS-CoV-2 Kappa variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBR
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BU of 7sbr by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Kappa variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBO
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BU of 7sbo by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Delta variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
3LY2
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BU of 3ly2 by Molmil
Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Descriptor: 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Shiau, A.K, Coyle, A.R, Hsien, J.H, Staszewski, L.M.
Deposit date:2010-02-26
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Water-soluble PDE4 inhibitors for the treatment of dry eye.
Bioorg.Med.Chem.Lett., 20, 2010
7SBT
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BU of 7sbt by Molmil
One RBD-up 2 of pre-fusion SARS-CoV-2 Gamma variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-10
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBK
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BU of 7sbk by Molmil
Closed state of pre-fusion SARS-CoV-2 Delta variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SBS
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BU of 7sbs by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Gamma variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-03
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
7SBL
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BU of 7sbl by Molmil
One RBD-up 1 of pre-fusion SARS-CoV-2 Delta variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
Deposit date:2021-09-25
Release date:2021-11-10
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant.
Science, 374, 2021
4E12
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BU of 4e12 by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
Descriptor: Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
Deposit date:2012-03-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
7S89
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BU of 7s89 by Molmil
Open apo-state cryo-EM structure of human TRPV6 in cNW11 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2021-09-17
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole.
Nat Commun, 12, 2021
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S3D
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BU of 7s3d by Molmil
Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ...
Authors:Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A.
Deposit date:2021-09-05
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
7SA3
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BU of 7sa3 by Molmil
Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Gisriel, C.J, Bryant, D.A, Brudvig, G.W.
Deposit date:2021-09-22
Release date:2021-12-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.25 Å)
Cite:Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f.
J.Biol.Chem., 298, 2021
7S88
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BU of 7s88 by Molmil
Open apo-state cryo-EM structure of human TRPV6 in glyco-diosgenin detergent
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2021-09-17
Release date:2021-11-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole.
Nat Commun, 12, 2021
2IVH
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BU of 2ivh by Molmil
Crystal structure of the nuclease domain of ColE7 (H545Q mutant) in complex with an 18-bp duplex DNA
Descriptor: 5'-D(*GP*GP*AP*AP*TP*TP*CP*GP*AP*TP *CP*GP*AP*AP*TP*TP*CP*C)-3', COLCIN-E7, ZINC ION
Authors:Wang, Y.T, Yang, W.J, Li, C.L, Doudeva, L.G, Yuan, H.S.
Deposit date:2006-06-13
Release date:2007-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Sequence-Dependent DNA Cleavage by Nonspecific Endonucleases.
Nucleic Acids Res., 35, 2007
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
2IU0
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BU of 2iu0 by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
Authors:Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2006-05-26
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
2J21
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BU of 2j21 by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-R282W
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
4E3C
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BU of 4e3c by Molmil
X-ray crystal structure of human IKK2 in an active conformation
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta
Authors:Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T.
Deposit date:2012-03-09
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:X-ray crystal structure of human IKK2 in an active conformation
Plos.Biol., 2013

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