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8CPP
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BU of 8cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
Descriptor: CYTOCHROME P450CAM, PROTOPORPHYRIN IX CONTAINING FE, THIOCAMPHOR
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
8CPL
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BU of 8cpl by Molmil
YZw2 a scaffold for cryo-EM of small proteins of interest
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putrescine aminotransferase,Immunoglobulin G-binding protein A
Authors:Moche, M, Friberg, O, Nygren, P.A, Nilvebrant, J.
Deposit date:2023-03-03
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Engineered imaging scaffolds for cryo-EM of small proteins of interest.
To Be Published
8CPK
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BU of 8cpk by Molmil
Crystal structure of EtpA secretion domain from Enterotoxigenic Escherichia coli
Descriptor: EtpA
Authors:Ntui, C.M, Schubert, W.D, Fleckenstein, J.M.
Deposit date:2023-03-02
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:EtpA secretion domain
To Be Published
8CPD
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BU of 8cpd by Molmil
Cryo-EM structure of CRaf dimer with 14:3:3
Descriptor: 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase
Authors:Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J.
Deposit date:2023-03-02
Release date:2024-02-21
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
8CPB
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BU of 8cpb by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution.
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ...
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-03-02
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8CPA
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BU of 8cpa by Molmil
COMPARISON OF THE STRUCTURES OF THREE CARBOXYPEPTIDASE A-PHOSPHONATE COMPLEXES DETERMINED BY X-RAY CRYSTALLOGRAPHY
Descriptor: CARBOXYPEPTIDASE A, O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE, ZINC ION
Authors:Kim, H, Lipscomb, W.N.
Deposit date:1991-05-21
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of the structures of three carboxypeptidase A-phosphonate complexes determined by X-ray crystallography.
Biochemistry, 30, 1991
8CP6
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BU of 8cp6 by Molmil
Type six secretion system exported effector 5 (Tse5)
Descriptor: Toxin protein Tse5
Authors:Gonzalez-Magana, A, Tascon, I, Ubarretxena-Belandia, I, Albesa-Jove, D.
Deposit date:2023-03-01
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural and functional insights into the delivery of a bacterial Rhs pore-forming toxin to the membrane.
Nat Commun, 14, 2023
8CP5
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BU of 8cp5 by Molmil
Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and Sulphate
Descriptor: DI(HYDROXYETHYL)ETHER, FAD-binding protein, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2023-03-01
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
J.Biol.Chem., 299, 2023
8CP4
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BU of 8cp4 by Molmil
[4Fe-4S] cluster containing LarE in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024
8CP3
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BU of 8cp3 by Molmil
Apo-LarE in complex with AMP-PNP
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, NAD_synthase domain-containing protein, ...
Authors:Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024
8CP2
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BU of 8cp2 by Molmil
Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and L-aspartate
Descriptor: 3-NITROPROPANOIC ACID, ASPARTIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2023-03-01
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center.
J.Biol.Chem., 299, 2023
8CP0
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BU of 8cp0 by Molmil
Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form)
Descriptor: CALCIUM ION, subtilisin
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
8COZ
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BU of 8coz by Molmil
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ...
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
8COY
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BU of 8coy by Molmil
Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ...
Authors:Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A.
Deposit date:2023-03-01
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
8COV
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BU of 8cov by Molmil
Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8COU
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BU of 8cou by Molmil
Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid
Descriptor: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8COP
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BU of 8cop by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with N-(4-(2,6-diamino-5-(cyclopropylethynyl)pyrimidin-4-yl)phenyl)methanesulfonamide
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2023-02-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Expansion of a series of pyrimidine derivatives utilising fragment-based merging showcasing anleads to increased affinity with to Mycobacterium tuberculosis dihydrofolate reductase
To Be Published
8COM
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BU of 8com by Molmil
Structure of the Nucleosome Core Particle from Trypanosoma brucei
Descriptor: Histone H2A, Histone H2B, Histone H3, ...
Authors:Burdett, H, Deak, G, Wilson, M.D.
Deposit date:2023-02-28
Release date:2023-07-12
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Histone divergence in trypanosomes results in unique alterations to nucleosome structure.
Nucleic Acids Res., 51, 2023
8COK
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BU of 8cok by Molmil
Structural analysis of ING3 protein and its binding to histone H3
Descriptor: Inhibitor of growth protein 3
Authors:Ferreras-Gutierrez, M, Medrano, F.J, Blanco, F.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analysis of ING3 protein and histone H3 binding.
Int.J.Biol.Macromol., 242, 2023
8COI
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BU of 8coi by Molmil
Human adenovirus-derived synthetic ADDobody binder
Descriptor: ADDobody
Authors:Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I.
Deposit date:2023-02-28
Release date:2023-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
8COH
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BU of 8coh by Molmil
Structure of the complement C5 specific nanobody TPP-3444
Descriptor: CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
8CO5
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BU of 8co5 by Molmil
The surface-engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form with parallel dimer formation
Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, MAGNESIUM ION
Authors:Schmidt, A, Sauthof, L, Krauss, N, Scheerer, P.
Deposit date:2023-02-27
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structures of a bacterial phytochrome exhibiting a group-subgroup relationship reveal pronounced flexibility of the photosensory core module in the Pr state
To Be Published
8CO2
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BU of 8co2 by Molmil
YdaS N-terminal domain from prophage CP-933P in E. coli O157:H7
Descriptor: ISOPROPYL ALCOHOL, Putative antirepressor protein Cro, SULFATE ION
Authors:Prolic-Kalinsek, M, Loris, R.
Deposit date:2023-02-26
Release date:2023-03-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.63880718 Å)
Cite:YdaS from the Escherichia coli cryptic prophage CP-933P forms an evolutionary link between Cro repressors and HigA antitoxins
To Be Published
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-02-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CNZ
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BU of 8cnz by Molmil
mmLarE-[4Fe-4S] phased by Fe-SAD
Descriptor: CHLORIDE ION, IODIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Pecqueur, L, Zecchin, P, Golinelli-Pimpaneau, B.
Deposit date:2023-02-24
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE.
Protein Sci., 33, 2024

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