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6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2019-09-09
Release date:2019-11-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6FIY
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BU of 6fiy by Molmil
Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP)
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-19
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.09000432 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-04-26
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
6FKT
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BU of 6fkt by Molmil
Crystal structure of a dye-decolorizing peroxidase R232A variant from Klebsiella pneumoniae (KpDyP)
Descriptor: Iron-dependent peroxidase, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-24
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86002779 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6FY5
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BU of 6fy5 by Molmil
Crystal structure of the macro domain of human macroh2a2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2
Authors:Hothorn, M.
Deposit date:2018-03-10
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms.
EMBO Rep., 19, 2018
6MB3
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BU of 6mb3 by Molmil
Cryo-EM structure of the circumsporozoite protein of Plasmodium falciparum with a vaccine-elicited antibody reveals maturation of inter-antibody contacts
Descriptor: Fab311 heavy chain, Fab311 light chain, Plasmodium falciparum recombinant shortened CSP
Authors:Cottrell, C.A, Torres, J.L, Ward, A.B.
Deposit date:2018-08-29
Release date:2018-10-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structure ofP. falciparumcircumsporozoite protein with a vaccine-elicited antibody is stabilized by somatically mutated inter-Fab contacts.
Sci Adv, 4, 2018
7OOJ
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BU of 7ooj by Molmil
Structure of D-Thr53 Ubiquitin
Descriptor: CADMIUM ION, Ubiquitin
Authors:Becker, S.
Deposit date:2021-05-27
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A litmus test for classifying recognition mechanisms of transiently binding proteins.
Nat Commun, 13, 2022
4QXS
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BU of 4qxs by Molmil
Crystal structure of human FPPS in complex with WC01088
Descriptor: (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2014-07-21
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
6MHG
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BU of 6mhg by Molmil
Cryo-EM structure of the circumsporozoite protein of Plasmodium falciparum with a vaccine-elicited antibody reveals maturation of inter-antibody contacts
Descriptor: Fab311 heavy chain, Fab311 light chain, circumsporozoite protein
Authors:Cottrell, C.A, Torres, J.L, Ward, A.B.
Deposit date:2018-09-17
Release date:2018-10-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Cryo-EM structure ofP. falciparumcircumsporozoite protein with a vaccine-elicited antibody is stabilized by somatically mutated inter-Fab contacts.
Sci Adv, 4, 2018
6J04
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BU of 6j04 by Molmil
Crystal structure of full length human LC3B delta G120 mutant (2_125)
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
Authors:Ding, Y, Lu, B.X, Wang, Z.Y.
Deposit date:2018-12-21
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds
Nature, 575, 2019
4ZH7
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BU of 4zh7 by Molmil
Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA
Descriptor: Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
Authors:Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
Deposit date:2015-04-24
Release date:2015-08-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
5YZ0
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BU of 5yz0 by Molmil
Cryo-EM Structure of human ATR-ATRIP complex
Descriptor: ATR-interacting protein, Serine/threonine-protein kinase ATR
Authors:Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y.
Deposit date:2017-12-11
Release date:2018-01-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
6YIO
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BU of 6yio by Molmil
CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha
Authors:Benz, J, Koll, H, Leibrock, L.
Deposit date:2020-04-01
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity.
Nat Cancer, 1, 2020
6WP1
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BU of 6wp1 by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:K40L:T51K Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
4ZH0
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BU of 4zh0 by Molmil
Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD
Descriptor: Outer membrane protein-adhesin
Authors:Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
Deposit date:2015-04-24
Release date:2015-08-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
5JAQ
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BU of 5jaq by Molmil
Yersinia pestis FabV variant T276C
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
Descriptor: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
Deposit date:2020-04-06
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
6WNJ
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BU of 6wnj by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:T51D:A28C:I32C of HCRBPII
Descriptor: GLYCEROL, Retinol-binding protein 2, SULFATE ION, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-22
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
Descriptor: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2015-10-21
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
5LWO
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BU of 5lwo by Molmil
Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K
Descriptor: 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
Deposit date:2016-09-18
Release date:2017-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.183 Å)
Cite:Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
J Phys Chem Lett, 8, 2017
8VZZ
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BU of 8vzz by Molmil
Q108K:K40L:T51V:T53S:Y19W:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nosssoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
8W00
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BU of 8w00 by Molmil
Q108K:K40L:T51V:T53S:Y19W:R58W:L117E mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
8VZY
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BU of 8vzy by Molmil
Q108K:K40L:T51V:T53S:R58Y mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H, Borhan, B.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
8VZX
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BU of 8vzx by Molmil
Q108K:K40L:T53A:R58F mutant of hCRBPII bound to synthetic fluorophore TD-1V
Descriptor: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
Authors:Nossoni, Z, Bingham, C.R, Geiger, J.H.
Deposit date:2024-02-13
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 19, 2024
5EYK
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BU of 5eyk by Molmil
CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325
Descriptor: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A
Authors:Bader, G, Zoephel, A.
Deposit date:2015-11-25
Release date:2016-08-17
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016

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