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5LW0
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BU of 5lw0 by Molmil
Oryza sativa APL macrodomain in complex with ADP-ribose
Descriptor: Basic helix-loop-helix, putative, expressed, ...
Authors:Ariza, A.
Deposit date:2016-09-14
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The role of ADP-ribosylation in regulating DNA interstrand crosslink repair.
J.Cell.Sci., 129, 2016
5LX5
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BU of 5lx5 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP.
Descriptor: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Bertrand, T, Marquette, J.P.
Deposit date:2016-09-20
Release date:2017-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP
To Be Published
5LRW
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BU of 5lrw by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LS9
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BU of 5ls9 by Molmil
Humanized Archaeal ferritin
Descriptor: Ferritin, putative, MAGNESIUM ION
Authors:Baiocco, P, Trabuco, M.C, Boffi, A.
Deposit date:2016-08-23
Release date:2016-11-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Humanized archaeal ferritin as a tool for cell targeted delivery.
Nanoscale, 9, 2017
5LSU
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BU of 5lsu by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT9
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BU of 5lt9 by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg
Descriptor: ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-06
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
8P67
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BU of 8p67 by Molmil
Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid
Descriptor: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ...
Authors:Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E.
Deposit date:2023-05-25
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
Biotechnol.Bioeng., 121, 2024
8OWP
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BU of 8owp by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWQ
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BU of 8owq by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
5M56
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BU of 5m56 by Molmil
Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21)
Descriptor: 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha', ...
Authors:Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.237 Å)
Cite:Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
8OWR
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BU of 8owr by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.439 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8P19
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BU of 8p19 by Molmil
USP28 USP domain apo
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Sauer, F, Karal Nair, R, Kisker, C.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:USP28 USP domain apo
To Be Published
8P8E
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BU of 8p8e by Molmil
Crystal structure of endolysin gp46 from Pseudomonas aeruginosa bacteriophage vB_PaeM_KTN6
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Glycoside hydrolase family protein
Authors:van Raaij, M.J, Sanz-Gaitero, M.
Deposit date:2023-06-01
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Structural and Biochemical Characterization of a New Phage-Encoded Muramidase, KTN6 Gp46.
Phage (New Rochelle), 5, 2024
8P14
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BU of 8p14 by Molmil
USP28 USP domain in complex with Vismodegib
Descriptor: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Sauer, F, Karal Nair, R, Kisker, C.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:USP28 USP domain in complex with Vismodegib
To Be Published
8P2O
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BU of 8p2o by Molmil
Dimeric mutant S103R of the BTB domain of ZBTB8A from Xenopus laevis
Descriptor: 1,2-ETHANEDIOL, Zinc finger and BTB domain-containing protein 8A.1-A
Authors:Coste, F, Mance, L, Pukalo, Z, Suskiewicz, M.J.
Deposit date:2023-05-16
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dimeric mutant S103R of the BTB domain of ZBTB8A from Xenopus laevis
To Be Published
8P9B
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BU of 8p9b by Molmil
Crystal Structure of Mnk2-D228G in complex with Tinodasertib
Descriptor: 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Turnbull, A.P, Sabin, V, Bell, C, Watson, M.
Deposit date:2023-06-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structure of Mnk2-D228G in complex with Tinodasertib
To Be Published
8P3N
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BU of 8p3n by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
To Be Published
8P2N
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BU of 8p2n by Molmil
Polymeric form of the BTB domain of ZBTB8A from Xenopus laevis
Descriptor: Zinc finger and BTB domain-containing protein 8A.1-A
Authors:Coste, F, Mance, L, Suskiewicz, M.J.
Deposit date:2023-05-16
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Polymeric form of the BTB domain of ZBTB8A from Xenopus laevis
To Be Published
8P7P
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BU of 8p7p by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8P2P
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BU of 8p2p by Molmil
Polymeric form of the BTB domain of human ZBTB18
Descriptor: Zinc finger and BTB domain-containing protein 18
Authors:Coste, F, Mance, L, Pukalo, Z, Suskiewicz, M.J.
Deposit date:2023-05-16
Release date:2024-06-05
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Polymeric form of the BTB domain of human ZBTB18
To Be Published
8P48
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BU of 8p48 by Molmil
IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-19
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:IPNS variant N252D in complex with Fe and ACV under anaerobic conditions
To Be Published
8P59
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BU of 8p59 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
Descriptor: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-23
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
To Be Published
8P3R
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BU of 8p3r by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
Descriptor: 9~{H}-purine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
To Be Published
8P7O
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BU of 8p7o by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
8PA1
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BU of 8pa1 by Molmil
Crystal structure of alcohol dehydrogenase/ketoreductase variant from Thermus thermophilus apo form
Descriptor: GLYCEROL, Oxidoreductase, short-chain dehydrogenase/reductase family, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of alcohol dehydrogenase/ketoreductase variant from Thermus thermophilus apo form
To Be Published

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PDB entries from 2024-08-28

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