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6EI4
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BU of 6ei4 by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site
Descriptor: COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
Authors:Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
Deposit date:2017-09-17
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
8SXE
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BU of 8sxe by Molmil
Structure of the C-terminal protease CtpA-LbcA complex of Pseudomonas aeruginosa
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
7N5W
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BU of 7n5w by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23)
Descriptor: 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
Descriptor: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EM6
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BU of 6em6 by Molmil
Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UPF0418 protein FAM164A, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
4LT4
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BU of 4lt4 by Molmil
Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-07-23
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
6EJF
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BU of 6ejf by Molmil
Thermus thermophilus PilF ATPase (apoprotein form)
Descriptor: Type IV pilus assembly protein PilF
Authors:Derrick, J.P, Collins, R.F.
Deposit date:2017-09-21
Release date:2018-08-01
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structural cycle of the Thermus thermophilus PilF ATPase: the powering of type IVa pilus assembly.
Sci Rep, 8, 2018
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
Descriptor: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
Authors:Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
Deposit date:2013-07-23
Release date:2014-05-21
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
8SXH
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BU of 8sxh by Molmil
Structure of the C-terminal protease CtpA-LbcA complex of Pseudomonas aeruginosa
Descriptor: Carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
8SXF
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BU of 8sxf by Molmil
The C-terminal protease CtpA-LbcA complex of pseudomonas aeruginosa with the TPR at the high position
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, polyA
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
4LUG
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BU of 4lug by Molmil
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
Descriptor: Inorganic pyrophosphatase, SODIUM ION
Authors:Grzechowiak, M, Ruszkowski, M, Sikorski, M, Jaskolski, M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of Inorganic pyrophosphatase PPA1 from Arabidopsis thaliana
To be Published
8EVN
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BU of 8evn by Molmil
Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with N-oxalylglycine (NOG)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-OXALYLGLYCINE, ...
Authors:Juan, T.-J, Leung, I, Squire, C.J.
Deposit date:2022-10-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216
To Be Published
7N60
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BU of 7n60 by Molmil
The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
8RXO
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BU of 8rxo by Molmil
ACDC domain of Plasmodium falciparum AP2-I transcription factor
Descriptor: AP2 domain transcription factor AP2-I
Authors:Nessler, S, Le Berre, M, Li De La Sierra, I.
Deposit date:2024-02-07
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
8EY4
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BU of 8ey4 by Molmil
Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37
Descriptor: Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-10-26
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37
To Be Published
6EOD
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BU of 6eod by Molmil
Structure of Reductive Aminase from Aspergillus terreus in complex with NADPH
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase
Authors:Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
Deposit date:2017-10-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
6EM2
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BU of 6em2 by Molmil
Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EOZ
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BU of 6eoz by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
Descriptor: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-10-10
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
7N9X
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BU of 7n9x by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
Descriptor: Capsid protein, Nanobody, Peptidyl-prolyl cis-trans isomerase A
Authors:Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.511 Å)
Cite:CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
6EMA
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BU of 6ema by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EP2
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BU of 6ep2 by Molmil
Enterococcus faecalis FIC protein in complex with ADP and calcium ion.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fic family protein
Authors:Veyron, S, Cherfils, J.
Deposit date:2017-10-10
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins.
Nat Commun, 10, 2019
4MH1
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BU of 4mh1 by Molmil
Crystal structure and functional studies of quinoprotein L-sorbose dehydrogenase from Ketogulonicigenium vulgare Y25
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Sorbose dehydrogenase
Authors:Han, X, Liu, X.
Deposit date:2013-08-29
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of L-sorbose dehydrogenase, a pyrroloquinoline quinone-dependent enzyme with homodimeric assembly, from Ketogulonicigenium vulgare
Biotechnol.Lett., 36, 2014
6EQV
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BU of 6eqv by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba
Descriptor: CALCIUM ION, CHLORIDE ION, Furin, ...
Authors:Dahms, S.O, Than, M.E.
Deposit date:2017-10-16
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
8F2O
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BU of 8f2o by Molmil
Phi-29 expanded, DNA-packaged fiberless prohead
Descriptor: Major capsid protein
Authors:Woodson, M.E, Morais, M.C, Jardine, P.J, Zhang, W.
Deposit date:2022-11-08
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Scaffold Oligomers Control Prohead Expansion
To Be Published
8F2N
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BU of 8f2n by Molmil
Phi-29 partially-expanded fiberless prohead
Descriptor: Major capsid protein
Authors:Woodson, M.E, Morais, M.C, Scott, S.D, Choi, K.H, Jardine, P.J, Zhang, W.
Deposit date:2022-11-08
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Phi-29 partially-expanded fiberless prohead
To Be Published

224004

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