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8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q5P
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BU of 7q5p by Molmil
Structure of VgrG1 from Pseudomonas protegens.
Descriptor: Type VI secretion protein VgrG
Authors:Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S.
Deposit date:2021-11-04
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
4PGM
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BU of 4pgm by Molmil
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE
Descriptor: PHOSPHOGLYCERATE MUTASE 1
Authors:Rigden, D.J, Alexeev, D, Phillips, S.E.V, Fothergill-Gilmore, L.A.
Deposit date:1997-04-25
Release date:1997-10-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 2.3 A X-ray crystal structure of S. cerevisiae phosphoglycerate mutase.
J.Mol.Biol., 276, 1998
5TSC
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BU of 5tsc by Molmil
The crystal structure of Lpg2147 from Legionella pneumophila
Descriptor: Uncharacterized protein
Authors:Valleau, D, Xu, X, Cui, H, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-10-28
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:The crystal structure of Lpg2147 from Legionella pneumophila
To Be Published
5U4W
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BU of 5u4w by Molmil
Cryo-EM Structure of Immature Zika Virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein, ...
Authors:Mangala Prasad, V, Miller, A.S, Klose, T, Sirohi, D, Buda, G, Jiang, W, Kuhn, R.J, Rossmann, M.G.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Structure of the immature Zika virus at 9 angstrom resolution.
Nat. Struct. Mol. Biol., 24, 2017
7Q97
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BU of 7q97 by Molmil
Structure of the bacterial type VI secretion system effector RhsA.
Descriptor: Rhs family protein
Authors:Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S.
Deposit date:2021-11-12
Release date:2021-12-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
4PI8
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BU of 4pi8 by Molmil
Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ...
Authors:Mihelic, M, Renko, M, Jakas, A, Turk, D.
Deposit date:2014-05-08
Release date:2015-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
5TX8
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BU of 5tx8 by Molmil
Solution structure of the de novo mini protein gHH_44
Descriptor: HH2
Authors:Buchko, G.W, Bahl, C.D, Baker, D.
Deposit date:2016-11-15
Release date:2017-09-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides.
Protein Sci., 27, 2018
1JNI
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BU of 1jni by Molmil
Structure of the NapB subunit of the periplasmic nitrate reductase from Haemophilus influenzae.
Descriptor: DIHEME CYTOCHROME C NAPB, HEME C
Authors:Brige, A, Leys, D, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2001-07-24
Release date:2002-05-17
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution structure of the diheme NapB subunit of soluble nitrate reductase reveals a novel cytochrome c fold with a stacked heme arrangement.
Biochemistry, 41, 2002
4PED
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BU of 4ped by Molmil
Mitochondrial ADCK3 employs an atypical protein kinase-like fold to enable coenzyme Q biosynthes
Descriptor: Chaperone activity of bc1 complex-like, mitochondrial, SULFATE ION
Authors:Bingman, C.A, Smith, R, Joshi, S, Stefely, J.A, Reidenbach, A.G, Ulbrich, A, Oruganty, O, Floyd, B.J, Jochem, A, Saunders, J.M, Johnson, I.E, Wrobel, R.L, Barber, G.E, Lee, D, Li, S, Kannan, N, Coon, J.J, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP)
Deposit date:2014-04-22
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mitochondrial ADCK3 Employs an Atypical Protein Kinase-like Fold to Enable Coenzyme Q Biosynthesis.
Mol.Cell, 57, 2015
4PEL
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BU of 4pel by Molmil
S1C mutant of Penicillin G acylase from Kluyvera citrophila
Descriptor: CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta
Authors:Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
Deposit date:2014-04-24
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Penicillin G acylase
To Be Published
4PFZ
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BU of 4pfz by Molmil
X-ray Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase from Mycobacterium smegmatis
Descriptor: 5-carboxymethyl-2-hydroxymuconate delta-isomerase, SODIUM ION
Authors:Horanyi, P.S, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-05-01
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase from Mycobacterium smegmatis
To Be Published
1JQJ
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BU of 1jqj by Molmil
Mechanism of Processivity Clamp Opening by the Delta Subunit Wrench of the Clamp Loader Complex of E. coli DNA Polymerase III: Structure of the beta-delta complex
Descriptor: DNA polymerase III, beta chain, delta subunit
Authors:Jeruzalmi, D, Yurieva, O, Zhao, Y, Young, M, Stewart, J, Hingorani, M, O'Donnell, M, Kuriyan, J.
Deposit date:2001-08-07
Release date:2001-11-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism of processivity clamp opening by the delta subunit wrench of the clamp loader complex of E. coli DNA polymerase III.
Cell(Cambridge,Mass.), 106, 2001
1JR8
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BU of 1jr8 by Molmil
Crystal Structure of Erv2p
Descriptor: Erv2 PROTEIN, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Gross, E, Sevier, C.S, Vala, A, Kaiser, C.A, Fass, D.
Deposit date:2001-08-13
Release date:2001-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new FAD-binding fold and intersubunit disulfide shuttle in the thiol oxidase Erv2p.
Nat.Struct.Biol., 9, 2002
5TSB
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BU of 5tsb by Molmil
Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Cd2+
Descriptor: CADMIUM ION, Membrane protein
Authors:Zhang, T, Fellner, M, Sui, D, Liu, J, Hu, J.
Deposit date:2016-10-28
Release date:2017-09-20
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of a ZIP zinc transporter reveal a binuclear metal center in the transport pathway.
Sci Adv, 3, 2017
5TRP
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BU of 5trp by Molmil
Crystal Structure of the Unliganded DH270 Cooperating Lineage Member DH272
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH272 Fab heavy chain, DH272 Fab light chain, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-27
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
1JUT
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BU of 1jut by Molmil
E. coli Thymidylate Synthase Bound to dUMP and LY338529, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-27
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
5UDG
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BU of 5udg by Molmil
Mutant E97Q crystal structure of Bacillus subtilis QueF with a disulfide Cys 55-99
Descriptor: MAGNESIUM ION, NADPH-dependent 7-cyano-7-deazaguanine reductase, TRIETHYLENE GLYCOL
Authors:Mohammad, A, Kiani, M.K, Iwata-Reuyl, D, Stec, B, Swairjo, M.
Deposit date:2016-12-27
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protection of the Queuosine Biosynthesis Enzyme QueF from Irreversible Oxidation by a Conserved Intramolecular Disulfide.
Biomolecules, 7, 2017
5TSJ
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BU of 5tsj by Molmil
Thermus thermophilus V/A-ATPase bound to VH dAbs
Descriptor: Archaeal/vacuolar-type H+-ATPase subunit I, Human heavy chain domain antibody, V-type ATP synthase alpha chain, ...
Authors:Davies, R.B, Smits, C, Wong, A.S.W, Stock, D, Sandin, S, Stewart, A.G.
Deposit date:2016-10-29
Release date:2017-02-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Cryo-EM analysis of a domain antibody bound rotary ATPase complex.
J. Struct. Biol., 197, 2017
1JVO
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BU of 1jvo by Molmil
Azurin dimer, crosslinked via disulfide bridge
Descriptor: Azurin, COPPER (II) ION
Authors:van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W.
Deposit date:2001-08-30
Release date:2002-01-04
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Dramatic modulation of electron transfer in protein complexes by crosslinking
Nat.Struct.Biol., 9, 2002
1JXZ
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BU of 1jxz by Molmil
Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product)
Descriptor: 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ...
Authors:Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M.
Deposit date:2001-09-10
Release date:2001-10-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis
Biochemistry, 40, 2001
4PTK
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BU of 4ptk by Molmil
Crystal structure of Staphylococcal IMPase-I complex with 3Mg2+ and Phosphate
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2014-03-11
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
4PTX
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BU of 4ptx by Molmil
Halothermothrix orenii beta-glucosidase A, glucose complex
Descriptor: CACODYLATE ION, Glycoside hydrolase family 1, beta-D-glucopyranose
Authors:Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C.
Deposit date:2014-03-11
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
5UI1
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BU of 5ui1 by Molmil
Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor
Descriptor: 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
Authors:Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
7QUE
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BU of 7que by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CKJB68
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022

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