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5MGP
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BU of 5mgp by Molmil
Structural basis for ArfA-RF2 mediated translation termination on stop-codon lacking mRNAs
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Huter, P, Mueller, C, Beckert, B, Arenz, S, Berninghausen, O, Beckmann, R, Wilson, N.D.
Deposit date:2016-11-21
Release date:2016-12-14
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for ArfA-RF2-mediated translation termination on mRNAs lacking stop codons.
Nature, 541, 2017
5K32
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BU of 5k32 by Molmil
PDE4D crystal structure in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ...
Authors:Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J.
Deposit date:2016-05-19
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
8Y1M
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BU of 8y1m by Molmil
Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Nakamura, T, Kuwata, K, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K.
Deposit date:2024-01-25
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
7S7L
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BU of 7s7l by Molmil
Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ...
Authors:Coban, M, Raeeszadeh-Sarmazdeh, M, Hockla, A, Sankaran, B, Radisky, E.S.
Deposit date:2021-09-16
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10.
J.Biol.Chem., 298, 2022
8P4Z
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BU of 8p4z by Molmil
Crystal structure of the human CDK7 kinase domain in complex with LDC4297
Descriptor: 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ...
Authors:Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B.
Deposit date:2023-05-23
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
8P60
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BU of 8p60 by Molmil
Spraguea lophii ribosome dimer
Descriptor: 40S Ribosomal protein S19, 40S ribosomal protein S0, 40S ribosomal protein S1, ...
Authors:Gil Diez, P, McLaren, M, Isupov, M.N, Daum, B, Conners, R, Williams, B.
Deposit date:2023-05-24
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (14.3 Å)
Cite:CryoEM reveals that ribosomes in microsporidian spores are locked in a dimeric hibernating state.
Nat Microbiol, 8, 2023
8P5D
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BU of 8p5d by Molmil
Spraguea lophii ribosome in the closed conformation by cryo sub tomogram averaging
Descriptor: 40S Ribosomal protein S19, 40S ribosomal protein S0, 40S ribosomal protein S10, ...
Authors:Gil Diez, P, McLaren, M, Isupov, M.N, Daum, B, Conners, R, Williams, B.
Deposit date:2023-05-23
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:CryoEM reveals that ribosomes in microsporidian spores are locked in a dimeric hibernating state.
Nat Microbiol, 8, 2023
9BRV
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BU of 9brv by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5
Descriptor: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea, Papain-like protease nsp3, ...
Authors:Amporndanai, K, Zhao, B, Fesik, S.W.
Deposit date:2024-05-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Acs Med.Chem.Lett., 2024
7SA9
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BU of 7sa9 by Molmil
Human MUC16 SEA5 Domain
Descriptor: Mucin-16
Authors:Brooks, C.L, White, B.
Deposit date:2021-09-22
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker.
Proteins, 90, 2022
6XUV
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BU of 6xuv by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
6OI9
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BU of 6oi9 by Molmil
Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
Descriptor: 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase
Authors:Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
Deposit date:2019-04-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
9EM4
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BU of 9em4 by Molmil
OPR3 variant Y364P in its dimeric form obtained with ammonium sulfate
Descriptor: 12-oxophytodienoate reductase 3, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2024-03-07
Release date:2024-08-14
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer.
Sci Rep, 14, 2024
6OIR
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BU of 6oir by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62
Descriptor: 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
8ZC3
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BU of 8zc3 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
7OR0
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BU of 7or0 by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grieben, M, Pike, A.C.W, Saward, B.G, Wang, D, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Schofield, C.J, Carpenter, E.P.
Deposit date:2021-06-04
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60
To Be Published
8ZC0
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BU of 8zc0 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VSK
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BU of 8vsk by Molmil
Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol
Descriptor: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-24
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.515 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8ZBY
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BU of 8zby by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8OUS
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BU of 8ous by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19
Descriptor: (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
6X9T
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BU of 6x9t by Molmil
HIV-1 Envelope Glycoprotein BG505 SOSIP.664 expressed in HEK293S cells in complex with RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2020-06-03
Release date:2020-11-04
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualization of the HIV-1 Env glycan shield across scales.
Proc.Natl.Acad.Sci.USA, 117, 2020
4W4Z
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BU of 4w4z by Molmil
Structure of the EphA4 LBD in complex with peptide
Descriptor: APY-bAla8.am peptide, Ephrin type-A receptor 4, GLYCEROL, ...
Authors:Lechtenberg, B.C, Mace, P.D, Riedl, S.J.
Deposit date:2014-08-15
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014

224004

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