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8BCX
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BU of 8bcx by Molmil
Crystal structure of NrfA-1 from Geobacter metallireducens
Descriptor: HEME C, Nitrite reductase (cytochrome; ammonia-forming), SULFATE ION
Authors:Denkhaus, L, Siffert, F, Einsle, O.
Deposit date:2022-10-17
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:An unusual active site architecture in cytochrome c nitrite reductase NrfA-1 from Geobacter metallireducens.
Fems Microbiol.Lett., 370, 2023
8POH
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BU of 8poh by Molmil
Influenza A/H7N9 polymerase symmetric dimer bound to the promoter (PA K289A/C489R)
Descriptor: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, Polymerase acidic protein, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-07-04
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
6Y9O
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BU of 6y9o by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide
Descriptor: Peripheral plasma membrane protein CASK, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
8X0S
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BU of 8x0s by Molmil
Crystal structure of r(G4C2)2
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*C)-3')
Authors:Geng, Y, Liu, C, Cai, Q, Zhu, G.
Deposit date:2023-11-05
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Crystal structure of a tetrameric RNA G-quadruplex formed by hexanucleotide repeat expansions of C9orf72 in ALS/FTD.
Nucleic Acids Res., 52, 2024
7U1H
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BU of 7u1h by Molmil
Crystal structure of Lens culinaris vicilin
Descriptor: Allergen Len c 1.0101
Authors:Robinson, K.A, Bakestani, I.D, Loewen, M.C.
Deposit date:2022-02-21
Release date:2022-03-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pea and lentil 7S globulin crystal structures with comparative immunoglobulin epitope mapping.
Food Chem (Oxf), 5, 2022
7ANY
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BU of 7any by Molmil
Structure of the Laspartomycin C Friulimicin-like mutant in complex with Geranyl phosphate
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Zeronian, M.R, Pearce, N.M, Lutz, M, Wood, T.M, Martin, N.I, Janssen, B.J.C.
Deposit date:2020-10-13
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.135 Å)
Cite:Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure-activity studies and high-resolution crystal structures
Chem Sci, 13, 2022
8PNQ
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BU of 8pnq by Molmil
Influenza A/H7N9 polymerase in elongation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-30
Release date:2024-02-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
8PNP
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BU of 8pnp by Molmil
Influenza A/H7N9 polymerase in pre-initiation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 51-mer vRNA loop (v51_mut_S), Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-30
Release date:2024-02-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
5AP2
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BU of 5ap2 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Descriptor: DUAL SPECIFICITY PROTEIN KINASE TTK, ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE
Authors:Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
8PM0
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BU of 8pm0 by Molmil
Influenza A/H7N9 polymerase in replicase-like conformation in pre-initiation state with Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, Polymerase acidic protein, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-27
Release date:2024-02-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
1UTA
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BU of 1uta by Molmil
Solution structure of the C-terminal RNP domain from the divisome protein FtsN
Descriptor: CELL DIVISION PROTEIN FTSN
Authors:Yang, J.-C, van den Ent, F, Neuhaus, D, Brevier, J, Lowe, J.
Deposit date:2003-12-04
Release date:2004-09-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and Domain Architecture of the Divisome Protein Ftsn
Mol.Microbiol., 52, 2004
5HHI
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BU of 5hhi by Molmil
Structure of human DNA polymerase beta Host-Guest complexed with CBZ-platinated N7-G
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Lee, S, Koag, M.-C.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
6PIV
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BU of 6piv by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77)
Descriptor: (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PJ0
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BU of 6pj0 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)
Descriptor: 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6MAV
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BU of 6mav by Molmil
Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Descriptor: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
Authors:Raeeszadeh-Sarmazdeh, M, Radisky, E.
Deposit date:2018-08-28
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
8IED
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BU of 8ied by Molmil
Cryo-EM structure of GPR156-miniGo-scFv16 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ...
Authors:Shin, J, Park, J, Cho, Y.
Deposit date:2023-02-15
Release date:2024-02-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
8IEP
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BU of 8iep by Molmil
Cryo-EM structure of GPR156C/D of G-protein free GPR156 (local refine)
Descriptor: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
Authors:Shin, J, Park, J, Cho, Y.
Deposit date:2023-02-15
Release date:2024-02-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
5HHH
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BU of 5hhh by Molmil
Structure of human DNA polymerase beta Host-Guest complexed with the control G for N7-CBZ-platination
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.363 Å)
Cite:Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
6PIW
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BU of 6piw by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-6 (NR03-67)
Descriptor: 1,2-ETHANEDIOL, NS3/A4 protease, ZINC ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PJ1
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BU of 6pj1 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-4(AJ-74)
Descriptor: 1,2-ETHANEDIOL, 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
8IEQ
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BU of 8ieq by Molmil
Cryo-EM structure of G-protein free GPR156
Descriptor: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
Authors:Shin, J, Park, J, Cho, Y.
Deposit date:2023-02-15
Release date:2024-02-14
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
8B1P
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BU of 8b1p by Molmil
Crystal structure of SUDV VP40 CCS mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
8B1O
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BU of 8b1o by Molmil
Crystal structure of SUDV VP40 C314S mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
7KP6
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BU of 7kp6 by Molmil
Structure of Ack1 kinase in complex with a selective inhibitor
Descriptor: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
Authors:Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
Deposit date:2020-11-10
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
9FRE
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BU of 9fre by Molmil
CryoEM structure of human rho1 GABAA receptor in complex with THIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, CHLORIDE ION, ...
Authors:Fan, C, Howard, R.J, Lindahl, E.
Deposit date:2024-06-18
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (2.19 Å)
Cite:Cryo-EM structures of Rho1 GABAA receptors with antagonist and agonist drugs
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