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5HVW
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BU of 5hvw by Molmil
Monomeric IgG4 Fc
Descriptor: GLYCEROL, Ig gamma-4 chain C region, ZINC ION, ...
Authors:Oganesyan, V.Y, Shan, L, Dall'Acqua, W.F.
Deposit date:2016-01-28
Release date:2016-08-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Generation and Characterization of an IgG4 Monomeric Fc Platform.
Plos One, 11, 2016
8Y55
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BU of 8y55 by Molmil
Crystal Structure of NAMPT-PF403
Descriptor: (13~{a}~{S})-6,7-dimethoxy-9,11,12,13,13~{a},14-hexahydrophenanthro[9,10-f]indolizin-3-ol, DI(HYDROXYETHYL)ETHER, Nicotinamide phosphoribosyltransferase
Authors:Yu, S.S, Liu, Y.B, Li, Y.
Deposit date:2024-01-31
Release date:2025-02-19
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Thermal proteome profiling (TPP) reveals NAMPT as the anti-glioma target of phenanthroindolizidine alkaloid PF403.
Acta Pharm Sin B, 15, 2025
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
Descriptor: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
Authors:Mascarenhas, R.N, Liu, D.
Deposit date:2020-12-22
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
8E0G
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BU of 8e0g by Molmil
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, HEXAETHYLENE GLYCOL, ...
Authors:Munro, T.A.
Deposit date:2022-08-09
Release date:2023-10-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
8F8O
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BU of 8f8o by Molmil
Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-11-22
Release date:2022-11-30
Last modified:2025-09-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and Structural Analysis of the Bacterial Enzyme Succinyl-Diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii.
Acs Omega, 9, 2024
5O2E
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BU of 5o2e by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement
Descriptor: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2017-05-20
Release date:2018-12-26
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
1L7E
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BU of 1l7e by Molmil
Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1
Authors:Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D.
Deposit date:2002-03-14
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Transhydrogenase Domain I with and without Bound NADH
Biochemistry, 41, 2002
4XIH
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BU of 4xih by Molmil
Crystal structure of the R116A mutant AhpE from Mycobacterium tuberculosis
Descriptor: AhpC/TSA family protein
Authors:Tamu Dufe, V, van Molle, I, Pallo, A, Messens, J.
Deposit date:2015-01-07
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
4CFY
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BU of 4cfy by Molmil
SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS
Descriptor: CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE
Authors:Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P.
Deposit date:2013-11-19
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool.
Acta Crystallogr.,Sect.D, 70, 2014
4BNQ
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BU of 4bnq by Molmil
The structure of the Staphylococcus aureus Ham1 protein
Descriptor: GLYCEROL, NON-CANONICAL PURINE NTP PYROPHOSPHATASE, PHOSPHATE ION
Authors:Abergel, C, Claverie, J.M.
Deposit date:2013-05-16
Release date:2013-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Molecular Replacement: Tricks and Treats.
Acta Crystallogr.,Sect.D, 69, 2013
1KTP
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BU of 1ktp by Molmil
Crystal structure of c-phycocyanin of synechococcus vulcanus at 1.6 angstroms
Descriptor: C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN
Authors:Adir, N, Dobrovetsky, E, Lerner, N.
Deposit date:2002-01-17
Release date:2002-03-06
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Refined structure of c-phycocyanin from the cyanobacterium Synechococcus vulcanus at 1.6 A: insights into the role of solvent molecules in thermal stability and co-factor structure
Biochim.Biophys.Acta, 1556, 2002
6UCY
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BU of 6ucy by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
5O7I
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BU of 5o7i by Molmil
ERK5 in complex with a pyrrole inhibitor
Descriptor: 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7
Authors:Tucker, J.A, Heptinstall, A, Myers, S.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5O9W
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BU of 5o9w by Molmil
Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with 2-oxoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T.
Deposit date:2017-06-20
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
5I82
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BU of 5i82 by Molmil
First Crystal Structure of E.coli Based Recombinant Diphtheria Toxin Mutant CRM197
Descriptor: Diphtheria toxin, GLYCEROL, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Mishra, R.P.N, Goel, A, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-18
Release date:2016-03-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and immunological characterization of E. coli derived recombinant CRM 197 protein used as carrier in conjugate vaccines.
Biosci.Rep., 38, 2018
6V8H
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BU of 6v8h by Molmil
Crystal structure of Ara h 8.0201
Descriptor: Ara h 8 allergen isoform, SULFATE ION
Authors:Offermann, L.R, Pote, S, Hurlburt, B.K, McBride, J.K, Chruszcz, M.
Deposit date:2019-12-11
Release date:2020-12-16
Last modified:2025-12-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural analysis of 8-anilino-1-naphthalene sulfonate (ANS) binding to the PR-10 allergen Ara h 8.
Biochem.Biophys.Res.Commun., 793, 2025
7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
Descriptor: CHLORIDE ION, Iripin-4 serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
6UY4
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BU of 6uy4 by Molmil
Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni
Descriptor: 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Mori, R.M, Zapata, L.C.C, Nonato, M.C.
Deposit date:2019-11-11
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.
Febs J., 288, 2021
7Z6Z
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BU of 7z6z by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7Z70
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BU of 7z70 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7ZBF
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BU of 7zbf by Molmil
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
Descriptor: Iripin-4 serpin, NICKEL (II) ION
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
4UM4
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BU of 4um4 by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE FROM ESCHERICHIA COLI IN COMPLEX WITH SULFATE
Descriptor: INORGANIC PYROPHOSPHATASE, SULFATE ION
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2014-05-15
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:First attempts to crystallize a non-homogeneous sample of thioredoxin from Litopenaeus vannamei: What to do when you have diffraction data of a protein that is not the target?
Biochem Biophys Rep, 8, 2016
9DUI
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BU of 9dui by Molmil
Re-refined of Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa (1JS3) with ketoenamine form of carbidopa
Descriptor: (2S)-3-(3,4-dihydroxyphenyl)-2-[(2E)-2-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)hydrazin-1-yl]-2-methylpropanoic acid, Aromatic-L-amino-acid decarboxylase, SULFATE ION
Authors:Doukov, I.T, Berkowitz, B.D.
Deposit date:2024-10-03
Release date:2025-09-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:alpha-Hydrazino Acids Inhibit Pyridoxal Phosphate-Dependent Decarboxylases via "Catalytically Correct" Ketoenamine Tautomers: A Special Motif for Chemical Biology and Drug Discovery?
Acs Catalysis, 15, 2025

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数据于2025-12-03公开中

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