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9BCB
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BU of 9bcb by Molmil
Crystal structure of human cellular retinol binding protein 3 in complex with C11 TopFluor MG
Descriptor: 1-[11-(dipyrrometheneboron difluoride)undecanoyl]-rac-glycerol, GLYCEROL, Retinol-binding protein 5
Authors:Golczak, M.
Deposit date:2024-04-08
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Interactom of cellular retinol binding protein 3.
To Be Published
5I0U
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BU of 5i0u by Molmil
Incompletely interpreted D-cysteine soak of Cysteine Dioxygenase at pH 7.0
Descriptor: Cysteine dioxygenase type 1, D-CYSTEINE, FE (III) ION
Authors:Kean, K.M, Driggers, C.M, Karplus, P.A.
Deposit date:2016-02-04
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
9EUS
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BU of 9eus by Molmil
Mpro from SARS-CoV-2 with R298A mutation
Descriptor: GLYCEROL, Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8IIO
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BU of 8iio by Molmil
H109Q mutant of uracil DNA glycosylase X
Descriptor: GLYCEROL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase
Authors:Aroli, S.
Deposit date:2023-02-24
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
6WIO
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BU of 6wio by Molmil
Fab antigen complex
Descriptor: Fab Heavy chain, Fab Light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
5AOY
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BU of 5aoy by Molmil
Structure of mouse Endonuclease V
Descriptor: ENDONUCLEASE V
Authors:Vik, E.S, Nawaz, M.S, Ronander, M.E, Solvoll, A.M, Strom-Andersen, P, Bjoras, M, Alseth, I, Dalhus, B.
Deposit date:2015-09-14
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure and Md Simulation of Mouse Endov Reveal Wedge Motif Plasticity in This Inosine-Specific Endonuclease.
Sci.Rep., 6, 2016
5IQW
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BU of 5iqw by Molmil
1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, CADMIUM ION, Heme acquisition protein HasAp
Authors:Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M.
Deposit date:2016-03-11
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
8IGU
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BU of 8igu by Molmil
Hexameric Ring Complex of Engineered V1-ATPase: A3(De)3_empty
Descriptor: V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
9EUR
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BU of 9eur by Molmil
Mpro WT from SARS-CoV-2 with 298Q mutation
Descriptor: Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8I2R
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BU of 8i2r by Molmil
Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y in complex with fructose
Descriptor: Beta-fructosyltransferase, MAGNESIUM ION, beta-D-fructofuranose, ...
Authors:Tonozuka, T.
Deposit date:2023-01-15
Release date:2023-06-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
Biosci.Biotechnol.Biochem., 87, 2023
9EPM
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BU of 9epm by Molmil
Mpro from SARS-CoV-2 with 4A mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-19
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8IIE
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BU of 8iie by Molmil
Complex form of MsmUdgX and uracil- obtained from uracil DNA (ttUtt) post its cleavage by MsmUdgX
Descriptor: IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase, URACIL
Authors:Aroli, S.
Deposit date:2023-02-24
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
Descriptor: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
Authors:Knight, A.M, Arnold, F.H.
Deposit date:2020-04-15
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020
8IIT
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BU of 8iit by Molmil
Complex form of MsmUdgX H109S/R184A double mutant and uracil- obtained from uracil DNA (ttUtt) post its cleavage by MsmUdgX H109S/R184A
Descriptor: IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase, URACIL
Authors:Aroli, S.
Deposit date:2023-02-24
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
Descriptor: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
6WO0
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BU of 6wo0 by Molmil
human Artemis/SNM1C catalytic domain, crystal form 1
Descriptor: GLYCEROL, Protein artemis, ZINC ION
Authors:Karim, F, Liu, S, Laciak, A.R, Volk, L, Rosenblum, M, Curtis, R, Huang, N, Carr, G, Zhu, G.
Deposit date:2020-04-23
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural analysis of the catalytic domain of Artemis endonuclease/SNM1C reveals distinct structural features.
J.Biol.Chem., 295, 2020
8IIM
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BU of 8iim by Molmil
H109K mutant of uracil DNA glycosylase X
Descriptor: BETA-MERCAPTOETHANOL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase
Authors:Aroli, S.
Deposit date:2023-02-24
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
5AQN
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BU of 5aqn by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
Authors:Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
Deposit date:2015-09-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
9B0M
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BU of 9b0m by Molmil
Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L-dopachrome isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
To be published
8IIQ
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BU of 8iiq by Molmil
MsmUdgX H109S/E52N double mutant
Descriptor: IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase
Authors:Aroli, S.
Deposit date:2023-02-24
Release date:2023-06-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
9EPV
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BU of 9epv by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
Descriptor: 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
5AX9
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BU of 5ax9 by Molmil
Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase in complex with compund 9
Descriptor: 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile, SULFATE ION, TRAF2 and NCK-interacting protein kinase
Authors:Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M.
Deposit date:2015-07-21
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
8IM0
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BU of 8im0 by Molmil
mCherry-LaM8 complex
Descriptor: LaM8, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
9EPY
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BU of 9epy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
8IGW
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BU of 8igw by Molmil
Hexameric Ring Complex of Engineered V1-ATPase bound to 4 ADPs: A3(De)3_(ADP)3cat,1non-cat, Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP)3cat,2non-cat
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type sodium ATPase catalytic subunit A, ...
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023

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PDB entries from 2024-10-02

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