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8EC8
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BU of 8ec8 by Molmil
Mycobacterium phage Bobi
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-01
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECK
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BU of 8eck by Molmil
Gordonia phage Cozz
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-02
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8E16
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BU of 8e16 by Molmil
Mycobacterium phage Che8
Descriptor: Major capsid protein, gp6
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-08-09
Release date:2023-02-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
6M28
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BU of 6m28 by Molmil
Sirohydrochlorin nickelochelatase CfbA in complex with Co2+
Descriptor: COBALT (II) ION, Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-26
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
6M2H
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BU of 6m2h by Molmil
A reaction intermediate of sirohydrochlorin nickelochelatase CfbA in complex with Ni2+ and sirohydrochlorin
Descriptor: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, NICKEL (II) ION, Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-27
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
5ZH3
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BU of 5zh3 by Molmil
CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6
Descriptor: (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase
Authors:Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A.
Deposit date:2018-03-11
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
6CPI
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BU of 6cpi by Molmil
Solution structure of SH3 domain from Shank1
Descriptor: SH3 and multiple ankyrin repeat domains protein 1
Authors:Ishida, H, Vogel, H.J.
Deposit date:2018-03-13
Release date:2018-08-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels.
FEBS Lett., 592, 2018
6CQE
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BU of 6cqe by Molmil
Crystal structure of HPK1 kinase domain S171A mutant
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W.
Deposit date:2018-03-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.886 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
7E0W
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BU of 7e0w by Molmil
Crystal Structure of BCH domain from S. pombe
Descriptor: Putative Rho GTPase-activating protein C1565.02c, TETRAETHYLENE GLYCOL
Authors:Chichili, V.P.R, Jobichen, C, Sivaraman, J.
Deposit date:2021-01-28
Release date:2021-03-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel intertwined anti-parallel dimeric structure of scaffold BCH domain regulates RhoA and RhoGAP functions
Proc.Natl.Acad.Sci.USA, 2021
5AAA
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BU of 5aaa by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
3IGD
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BU of 3igd by Molmil
Crystal structure of Mtu recA intein, splicing domain
Descriptor: Endonuclease PI-MtuI, ZINC ION
Authors:Van Roey, P, Belfort, M.
Deposit date:2009-07-27
Release date:2009-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection and structure of hyperactive inteins: peripheral changes relayed to the catalytic center.
J.Mol.Biol., 393, 2009
6CJK
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BU of 6cjk by Molmil
Anti HIV Fab 10A
Descriptor: ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ...
Authors:Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D.
Deposit date:2018-02-26
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
6CBH
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BU of 6cbh by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (8m)
Descriptor: 5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Robertson, M.J, Krimmer, S.G, Jorgensen, W.L.
Deposit date:2018-02-02
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
6CB5
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BU of 6cb5 by Molmil
Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g)
Descriptor: 2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid, Macrophage migration inhibitory factor, SULFATE ION
Authors:Krimmer, S.G, Robertson, M.J, Jorgensen, W.L.
Deposit date:2018-02-02
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
6CPK
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BU of 6cpk by Molmil
Solution structure of SH3 domain from Shank3
Descriptor: SH3 and multiple ankyrin repeat domains protein 3
Authors:Ishida, H, Vogel, H.J.
Deposit date:2018-03-13
Release date:2018-08-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels.
FEBS Lett., 592, 2018
5C04
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BU of 5c04 by Molmil
Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis
Descriptor: Putative peroxiredoxin MT2298
Authors:Pallo, A, Dufe, V.T, Messens, J.
Deposit date:2015-06-12
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
8EEC
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BU of 8eec by Molmil
Crystal structure of HPK1 citron-homology domain
Descriptor: Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2022-09-06
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:HPK1 Citron Homology Domain Serves as a Scaffold to Promote Phosphorylation of SLP76
To Be Published
5DPN
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BU of 5dpn by Molmil
Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG.
Descriptor: CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Ohlin, M.
Deposit date:2015-09-13
Release date:2015-10-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Biochemistry, 54, 2015
5DRX
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BU of 5drx by Molmil
Crystal structure of the BCR Fab fragment from subset #4 case CLL240
Descriptor: CLL240 BCR light chain, CLL240 heavy chain (VH and CH1 domains), GLYCEROL
Authors:Minici, C, Degano, M.
Deposit date:2015-09-16
Release date:2016-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
8EW6
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BU of 8ew6 by Molmil
Anti-human CD8 VHH complex with CD8 alpha
Descriptor: Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain
Authors:Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P.
Deposit date:2022-10-21
Release date:2022-11-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging.
Eur J Nucl Med Mol Imaging, 50, 2023
3MME
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BU of 3mme by Molmil
Structure and functional dissection of PG16, an antibody with broad and potent neutralization of HIV-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 HEAVY CHAIN FAB, ...
Authors:Pancera, M, McLellan, J, Zhou, T, Zhu, J, Kwong, P.
Deposit date:2010-04-19
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.97 Å)
Cite:Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
Authors:Kitakaze, K, Maita, N, Itoh, K.
Deposit date:2015-06-01
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
3I2T
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BU of 3i2t by Molmil
Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Alvarado, D, Klein, D.E, Lemmon, M.A.
Deposit date:2009-06-29
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009

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