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5UP2
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BU of 5up2 by Molmil
Triheteromeric NMDA receptor GluN1/GluN2A/GluN2B in complex with glycine, glutamate, Ro 25-6981, MK-801 and a GluN2B-specific Fab, at pH 6.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GluN2B-specific Fab, ...
Authors:Lu, W, Du, J, Goehring, A, Gouaux, E.
Deposit date:2017-02-01
Release date:2017-03-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation.
Science, 355, 2017
7LO4
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BU of 7lo4 by Molmil
SARS-CoV-2 spike receptor-binding domain with a G485R mutation in complex with human ACE2
Descriptor: 1,2-ETHANEDIOL, 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:Weekley, C.M, Parker, M.W.
Deposit date:2021-02-09
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:SARS-CoV-2 Spike receptor-binding domain with a G485R mutation in complex with human ACE2
Biorxiv, 2021
7LQW
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BU of 7lqw by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 2-17 Fab in complex with SARS-CoV-2 S2P spike
Descriptor: 2-17 Heavy Chain, 2-17 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
Deposit date:2021-02-15
Release date:2021-03-24
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (4.47 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
2P0W
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BU of 2p0w by Molmil
Human histone acetyltransferase 1 (HAT1)
Descriptor: ACETAMIDE, ACETATE ION, ACETYL COENZYME *A, ...
Authors:Wu, H, Min, J, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-03-01
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human histone acetyltransferase 1 (HAT1) in complex with acetylcoenzyme A and histone peptide H4
To be Published
7M19
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BU of 7m19 by Molmil
SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A
Authors:Kern, D.M, Gerber, E.E, Brohawn, S.G.
Deposit date:2021-03-12
Release date:2021-03-24
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
3BC9
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BU of 3bc9 by Molmil
Alpha-amylase B in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C.
Deposit date:2007-11-12
Release date:2008-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch
J.Mol.Biol., 378, 2008
2P1D
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BU of 2p1d by Molmil
Crystal structure of dengue methyltransferase in complex with GTP and S-Adenosyl-L-homocysteine
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Egloff, M.P, Benarooch, D, Marseilles Structural Genomics Program @ AFMB (MSGP)
Deposit date:2007-03-05
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An RNA cap (nucleoside-2'-O)-methyltransferase in the flavivirus RNA polymerase NS5: crystal structure and functional characterization
EMBO J., 21, 2002
5URI
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BU of 5uri by Molmil
Rat CYPOR/D632A with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
7LBY
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BU of 7lby by Molmil
Bacterial cellulose synthase BcsB with polyalanine BcsA model
Descriptor: Cellulose synthase catalytic subunit [UDP-forming], Cyclic di-GMP-binding protein
Authors:Acheson, J.F, Zimmer, J.
Deposit date:2021-01-09
Release date:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Molecular organization of the E. coli cellulose synthase macrocomplex.
Nat.Struct.Mol.Biol., 28, 2021
7LWT
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BU of 7lwt by Molmil
UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-01
Release date:2021-03-31
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
6D1S
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BU of 6d1s by Molmil
Crystal structure of an apo chimeric human alpha1GABAA receptor
Descriptor: chimeric alpha1GABAA receptor
Authors:Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
Deposit date:2018-04-12
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
7LWU
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BU of 7lwu by Molmil
UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-01
Release date:2021-03-31
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
6HLO
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BU of 6hlo by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ...
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
2P5W
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BU of 2p5w by Molmil
Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K.
Deposit date:2007-03-16
Release date:2007-09-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
7LWV
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BU of 7lwv by Molmil
UK (B.1.1.7) SARS-CoV-2 spike protein variant (S-GSAS-B.1.1.7) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-01
Release date:2021-03-31
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-02-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
6HIQ
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BU of 6hiq by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, I2 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
Deposit date:2018-08-30
Release date:2018-11-07
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
7LWS
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BU of 7lws by Molmil
UK (B.1.1.7) SARS-CoV-2 S-GSAS-D614G variant spike protein in the 3-RBD-down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-01
Release date:2021-03-31
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation and antigenicity.
Biorxiv, 2021
6HMA
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BU of 6hma by Molmil
Improved model derived from cryo-EM map of Staphylococcus aureus large ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Eyal, Z, Cimicata, G, Matzov, D, Fox, T, de Val, N, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Improved model derived from cryo-EM map of Staphylococcus aureus large ribosomal subunit
To Be Published
6HJL
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BU of 6hjl by Molmil
Affimer:BclxL
Descriptor: Affimer ADB13, Bcl-2-like protein 1
Authors:Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2018-09-04
Release date:2020-03-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
5VAR
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BU of 5var by Molmil
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
Descriptor: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A
Authors:Judge, R.A, Upadhyay, A.K.
Deposit date:2017-03-27
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.
Bioorg. Med. Chem. Lett., 28, 2018
5UYM
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BU of 5uym by Molmil
70S ribosome bound with cognate ternary complex base-paired to A site codon, closed 30S (Structure III)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A.
Deposit date:2017-02-24
Release date:2017-06-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
6HQB
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BU of 6hqb by Molmil
Monomeric cyanobacterial photosystem I
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, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Netzer-El, S.Y, Nelson, N, Caspy, I.
Deposit date:2018-09-24
Release date:2019-01-16
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal Structure of Photosystem I Monomer From Synechocystis PCC 6803.
Front Plant Sci, 9, 2018
6D08
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BU of 6d08 by Molmil
Crystal structure of an engineered bump-hole complex of mutant human chromobox homolog 1 (CBX1) with H3K9bn peptide
Descriptor: Chromobox protein homolog 1, GLYCEROL, Histone H3.1, ...
Authors:Arora, S, Horne, W.S, Islam, K.
Deposit date:2018-04-10
Release date:2019-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering Methyllysine Writers and Readers for Allele-Specific Regulation of Protein-Protein Interactions.
J.Am.Chem.Soc., 141, 2019
6HRM
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BU of 6hrm by Molmil
E. coli 70S d2d8 stapled ribosome
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schmied, W.H, Tnimov, Z, Uttamapinant, C, Rae, C.D, Fried, S.D, Chin, J.W.
Deposit date:2018-09-27
Release date:2018-12-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Controlling orthogonal ribosome subunit interactions enables evolution of new function.
Nature, 564, 2018

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