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6FQA
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Crystal structure of the CsuC-CsuA/B chaperone-subunit preassembly complex of the archaic chaperone-usher Csu pili of Acinetobacter baumannii
Descriptor: CsuA/B,CsuA/B, CsuC
Authors:Parilova, O, Pakharukova, N.A, Malmi, H, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
Deposit date:2018-02-13
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information.
J. Biol. Chem., 293, 2018
6QMR
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BU of 6qmr by Molmil
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
Descriptor: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D
Authors:Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6QMT
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BU of 6qmt by Molmil
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Descriptor: 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D
Authors:Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
Deposit date:2019-02-08
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
7CFD
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BU of 7cfd by Molmil
Drosophila melanogaster Krimper eTud2-AubR15me2 complex
Descriptor: FI20010p1, Protein aubergine
Authors:Hu, H, Li, S.
Deposit date:2020-06-25
Release date:2021-06-02
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
7CFB
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BU of 7cfb by Molmil
Drosophila melanogaster Krimper eTud1 apo structure
Descriptor: FI20010p1, SULFATE ION
Authors:Hu, H, Li, S.
Deposit date:2020-06-25
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
7CFC
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BU of 7cfc by Molmil
Drosophila melanogaster Krimper eTud1-Ago3 complex
Descriptor: FI20010p1, Protein argonaute-3
Authors:Hu, H, Li, S.
Deposit date:2020-06-25
Release date:2021-06-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
5A0L
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BU of 5a0l by Molmil
N-terminal thioester domain of fibronectin-binding protein SfbI from Streptococcus pyogenes
Descriptor: ACETATE ION, FIBRONECTIN-BINDING PROTEIN, ZINC ION
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-21
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
1HSS
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BU of 1hss by Molmil
0.19 ALPHA-AMYLASE INHIBITOR FROM WHEAT
Descriptor: 0.19 ALPHA-AMYLASE INHIBITOR
Authors:Oda, Y, Fukuyama, K.
Deposit date:1997-07-01
Release date:1998-07-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tertiary and quaternary structures of 0.19 alpha-amylase inhibitor from wheat kernel determined by X-ray analysis at 2.06 A resolution.
Biochemistry, 36, 1997
3LBL
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BU of 3lbl by Molmil
Structure of human MDM2 protein in complex with Mi-63-analog
Descriptor: (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
3LBK
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BU of 3lbk by Molmil
Structure of human MDM2 protein in complex with a small molecule inhibitor
Descriptor: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
6J9A
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BU of 6j9a by Molmil
Crystal structure of Arabidopsis thaliana VAL1 in complex with FLC DNA fragment
Descriptor: B3 domain-containing transcription repressor VAL1, DNA (5'-D(*AP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*AP*TP*C)-3'), DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*TP*TP*G)-3')
Authors:Hu, H, Du, J.
Deposit date:2019-01-22
Release date:2019-05-29
Method:X-RAY DIFFRACTION (2.915 Å)
Cite:Embryonic resetting of the parental vernalized state by two B3 domain transcription factors in Arabidopsis.
Nat.Plants, 5, 2019
3LBJ
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BU of 3lbj by Molmil
Structure of human MDMX protein in complex with a small molecule inhibitor
Descriptor: N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, Protein Mdm4, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
7YZA
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BU of 7yza by Molmil
Crystal structure of the zebrafish FoxH1 bound to the TGTGTATT site
Descriptor: DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*TP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*AP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ...
Authors:Pluta, R, Macias, M.J.
Deposit date:2022-02-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
5DX1
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BU of 5dx1 by Molmil
Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, PABP1 peptide, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-23
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
2K36
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BU of 2k36 by Molmil
Structure ensemble Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments, 1H-15N RDCs and 1H-1H nOe restraints for protein K7 from the Vaccinia virus
Descriptor: Protein K7
Authors:Kalverda, A.P, Thompson, G.S, Vogel, A, Schr der, M, Bowie, A.G, Khan, A.R, Homans, S.W.
Deposit date:2008-04-22
Release date:2008-10-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Poxvirus K7 protein adopts a Bcl-2 fold: biochemical mapping of its interactions with human DEAD box RNA helicase DDX3.
J.Mol.Biol., 385, 2009
6S6C
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BU of 6s6c by Molmil
Ground state structure of Archaerhodopsin-3 at 100K
Descriptor: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Moraes, I, Judge, P.J, Axford, D, Kwan, T.O.C, Bada Juarez, J.F, Vinals, J, Watts, A.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization.
Nat Commun, 12, 2021
7NIT
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BU of 7nit by Molmil
X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum
Descriptor: Beta-galactosidase, CALCIUM ION, GLYCEROL, ...
Authors:Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S.
Deposit date:2021-02-14
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
5AOT
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BU of 5aot by Molmil
Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A
Descriptor: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
Authors:Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2015-09-11
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7POJ
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BU of 7poj by Molmil
Prodomain bound BMP10 crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL
Authors:Guo, J, Yu, M, Li, W.
Deposit date:2021-09-09
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7POI
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BU of 7poi by Molmil
Prodomain bound BMP10 crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID
Authors:Guo, J, Yu, M, Li, W.
Deposit date:2021-09-09
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPB
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BU of 7ppb by Molmil
2.4 angstrom crystal structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2
Authors:Guo, J, Yu, M, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
5LH9
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BU of 5lh9 by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PLP-bound (internal aldimine) form
Descriptor: OMEGA TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2016-07-10
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Acs Catalysis, 7, 2017
5F7C
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BU of 5f7c by Molmil
Crystal structure of Family 31 alpha-glucosidase (BT_0339) from Bacteroides thetaiotaomicron
Descriptor: Alpha-glucosidase
Authors:Chaudet, M.M, Rose, D.R.
Deposit date:2015-12-07
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Suggested alternative starch utilization system from the human gut bacterium Bacteroides thetaiotaomicron.
Biochem. Cell Biol., 94, 2016
4QM1
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BU of 4qm1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
Descriptor: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-14
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7964 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
To be Published, 2014
5C2D
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BU of 5c2d by Molmil
K428A mutant gp2c of large terminase subunit from bacteriophage sf6 with calcium
Descriptor: CALCIUM ION, Gene 2 protein
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-15
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015

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