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7TJ8
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BU of 7tj8 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in nanodiscs
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
Deposit date:2022-01-14
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
7TJ9
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BU of 7tj9 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in GDN
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
Deposit date:2022-01-14
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
7EAN
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BU of 7ean by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
3K7Z
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BU of 3k7z by Molmil
GCN4-Leucine zipper core mutant as N16A trigonal automatic solution
Descriptor: General control protein GCN4
Authors:Holton, J, Alber, T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-10-13
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Protein Crystal Structure Determination Using Elves.
Proc.Natl.Acad.Sci.USA, 101, 2004
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
7VT2
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BU of 7vt2 by Molmil
Azumapecten Farreri ferritin
Descriptor: FE (III) ION, Ferritin
Authors:Zhao, G, Zhang, C.
Deposit date:2021-10-27
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural comparison between the DNA-protective ability of scallop and shrimp ferritin from iron-induced oxidative damage.
Food Chem, 386, 2022
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
5U6Z
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BU of 5u6z by Molmil
Crystal Structure of Xenopus laevis Apex2 C-terminal Znf-GRF Domain
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, SULFATE ION, ZINC ION
Authors:Wallace, B.D, Williams, R.S.
Deposit date:2016-12-09
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:APE2 Zf-GRF facilitates 3'-5' resection of DNA damage following oxidative stress.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6KEA
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BU of 6kea by Molmil
crystal structure of MBP-tagged REV7-IpaB complex
Descriptor: Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3
Authors:Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
Deposit date:2019-07-04
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
6KE3
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BU of 6ke3 by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
6KDF
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BU of 6kdf by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in APO form.
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
6KDE
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BU of 6kde by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in complex with Ca(2+)
Descriptor: CALCIUM ION, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
4R9A
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BU of 4r9a by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG4000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
7B33
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BU of 7b33 by Molmil
MST3 in complex with MRIA11
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7B35
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BU of 7b35 by Molmil
MST3 in complex with compound MRIA13
Descriptor: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.40005136 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7B30
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BU of 7b30 by Molmil
MST3 in complex with compound G-5555
Descriptor: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7B32
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BU of 7b32 by Molmil
MST3 in complex with MRIA7
Descriptor: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7B31
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BU of 7b31 by Molmil
MST3 in complex with compound MRIA9
Descriptor: 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
4R9B
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BU of 4r9b by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4DTK
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BU of 4dtk by Molmil
Novel and selective pan-PIM kinase inhibitor
Descriptor: (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2012-02-21
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
Descriptor: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Gurbani, D, Bera, A, Westover, K.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
7B34
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BU of 7b34 by Molmil
MST3 in complex with compound MRIA12
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021

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