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7TLQ
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BU of 7tlq by Molmil
Structure of Atopobium parvulum SufS C375S
Descriptor: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Karunakaran, G, Couture, J.F.
Deposit date:2022-01-18
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
6PF9
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BU of 6pf9 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
5MY8
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BU of 5my8 by Molmil
Crystal structure of SRPK1 in complex with SPHINX31
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-01-25
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
7X2E
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BU of 7x2e by Molmil
Structure of USH1C PDZ2 and coiled-coil in complex with CDHR2 C-terminal tail
Descriptor: Cadherin-related family member 2, GLYCEROL, Harmonin
Authors:Yan, W, Chen, G, Li, J.
Deposit date:2022-02-25
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the Harmonin PDZ2 and coiled-coil domains in a complex with CDHR2 tail and its implications.
Faseb J., 36, 2022
2YFN
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BU of 2yfn by Molmil
galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK
Descriptor: 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ...
Authors:Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T.
Deposit date:2011-04-07
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
5N23
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BU of 5n23 by Molmil
Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor
Descriptor: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Alam, K.A, Rothweiler, U, Engh, R.A.
Deposit date:2017-02-07
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Inhibitor induced structural effects involving Phe327 in AGC kinases
To Be Published
6W2D
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BU of 6w2d by Molmil
Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2020-03-05
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
6P9Y
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BU of 6p9y by Molmil
PAC1 GPCR Receptor 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(s) subunit alpha isoforms short, ...
Authors:Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
Deposit date:2019-06-10
Release date:2020-02-05
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Toward a Structural Understanding of Class B GPCR Peptide Binding and Activation.
Mol.Cell, 77, 2020
3WIN
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BU of 3win by Molmil
Clostridium botulinum Hemagglutinin
Descriptor: 17 kD hemagglutinin component, HA1, HA3
Authors:Amatsu, S, Sugawara, Y, Matsumura, T, Fujinaga, Y, Kitadokoro, K.
Deposit date:2013-09-19
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structure of Clostridium botulinum Whole Hemagglutinin Reveals a Huge Triskelion-shaped Molecular Complex
J.Biol.Chem., 288, 2013
6VPF
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BU of 6vpf by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
Descriptor: Clomifene, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2020-02-03
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6PFG
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BU of 6pfg by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
7TIT
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BU of 7tit by Molmil
Cardiac thin filament decorated with regulatory M-domain of cardiac myosin binding protein C
Descriptor: Myosin-binding protein C, cardiac-type, cardiac actin, ...
Authors:Risi, C.M, Galkin, V.E.
Deposit date:2022-01-14
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Cryo-Electron Microscopy Reveals Cardiac Myosin Binding Protein-C M-Domain Interactions with the Thin Filament.
J.Mol.Biol., 434, 2022
7QPD
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BU of 7qpd by Molmil
Structure of the human MHC I peptide-loading complex editing module
Descriptor: Beta-2-microglobulin, Calreticulin, HLA class I histocompatibility antigen, ...
Authors:Domnick, A, Susac, L, Trowitzsch, S, Thomas, C, Tampe, R.
Deposit date:2022-01-03
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Molecular basis of MHC I quality control in the peptide loading complex.
Nat Commun, 13, 2022
7TJ7
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BU of 7tj7 by Molmil
Cardiac thin filament decorated with C1 Ig-domain and regulatory M-domain of cardiac myosin binding protein C (cMyBP-C)
Descriptor: Myosin-binding protein C, cardiac-type, cardiac actin, ...
Authors:Risi, C.M, Galkin, V.E.
Deposit date:2022-01-14
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Cryo-Electron Microscopy Reveals Cardiac Myosin Binding Protein-C M-Domain Interactions with the Thin Filament.
J.Mol.Biol., 434, 2022
7TIJ
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BU of 7tij by Molmil
Cardiac F-actin decorated with regulatory M-domain of cardiac myosin binding protein C
Descriptor: Myosin-binding protein C, cardiac-type, cardiac actin
Authors:Risi, C.M, Galkin, V.E.
Deposit date:2022-01-13
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Cryo-Electron Microscopy Reveals Cardiac Myosin Binding Protein-C M-Domain Interactions with the Thin Filament.
J.Mol.Biol., 434, 2022
5NBT
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BU of 5nbt by Molmil
Apo structure of p60N/p80C katanin
Descriptor: Katanin p60 ATPase-containing subunit A1, Katanin p80 WD40 repeat-containing subunit B1
Authors:Jiang, K, Rezabkova, L, Hua, S, Liu, Q, Capitani, G, Altelaar, A.F.M, Heck, A.J.R, Kammerer, R.A, Steinmetz, M.O, Akhmanova, A.
Deposit date:2017-03-02
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microtubule minus-end regulation at spindle poles by an ASPM-katanin complex.
Nat. Cell Biol., 19, 2017
3WTP
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BU of 3wtp by Molmil
Crystal Structure of the heterotypic nucleosome containing human CENP-A and H3.3
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Arimura, Y, Shirayama, K, Horikoshi, N, Fujita, R, Kagawa, W, Fukagawa, T, Almouzni, G, Kurumizaka, H.
Deposit date:2014-04-14
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure and stable property of the cancer-associated heterotypic nucleosome containing CENP-A and H3.3
Sci Rep, 4, 2014
8HS2
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BU of 8hs2 by Molmil
Orphan GPR20 in complex with Fab046
Descriptor: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
7XAB
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BU of 7xab by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 22d
Descriptor: 9-(cyclopropylmethoxy)-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-(pyridin-4-ylmethoxy)pyrano[3,2-b]xanthen-6-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2022-03-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.00067449 Å)
Cite:Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.
Eur.J.Med.Chem., 242, 2022
7BC6
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BU of 7bc6 by Molmil
Cryo-EM structure of the outward open proton coupled folate transporter at pH 7.5
Descriptor: Proton-coupled folate transporter, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
8H50
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BU of 8h50 by Molmil
Crystal structure of carboxyspermidine dehydrogenase from Helicobacter pylori in space group C2221
Descriptor: Saccharopine dehydrogenase
Authors:Ko, K.Y, Park, S.C, Cho, S.Y, Yoon, S.I.
Deposit date:2022-10-11
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of carboxyspermidine dehydrogenase from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 635, 2022
7BC7
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BU of 7bc7 by Molmil
Cryo-EM structure of the proton coupled folate transporter at pH 6.0 bound to pemetrexed
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Proton-coupled folate transporter, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
3WYY
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BU of 3wyy by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
Descriptor: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
Deposit date:2014-09-10
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
8H52
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BU of 8h52 by Molmil
Crystal structure of Helicobacter pylori carboxyspermidine dehydrogenase in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase
Authors:Ko, K.Y, Park, S.C, Cho, S.Y, Yoon, S.I.
Deposit date:2022-10-11
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of carboxyspermidine dehydrogenase from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 635, 2022

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