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6I6I
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BU of 6i6i by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6, SULFATE ION
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I1M
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BU of 6i1m by Molmil
Secreted type 1 cystatin from Fasciola hepatica
Descriptor: Cystatin, IODIDE ION
Authors:Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M.
Deposit date:2018-10-29
Release date:2020-08-26
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily.
J.Biol.Chem., 299, 2023
3Q5U
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BU of 3q5u by Molmil
A minimal NLS from human scramblase 4 complexed with importin alpha
Descriptor: Importin subunit alpha-2, Phospholipid scramblase 4
Authors:Bhardwaj, A, Cingolani, G.
Deposit date:2010-12-29
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Minimal Nuclear Localization Signal (NLS) in Human Phospholipid Scramblase 4 That Binds Only the Minor NLS-binding Site of Importin {alpha}1.
J.Biol.Chem., 286, 2011
6I6S
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BU of 6i6s by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I8X
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BU of 6i8x by Molmil
As-p18, an extracellular fatty acid binding protein
Descriptor: 1,2-ETHANEDIOL, Fatty acid-binding protein homolog, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
Authors:Gabrielsen, M, Riboldi-Tunnicliffe, A, Ibanez-Shimabukuro, M, Smith, B.O.
Deposit date:2018-11-21
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:As-p18, an extracellular fatty acid binding protein of nematodes, exhibits unusual structural features.
Biosci.Rep., 2019
2ZMC
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BU of 2zmc by Molmil
Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
Deposit date:2008-04-16
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
6JB1
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BU of 6jb1 by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with repaglinide and ATPgammaS at 3.3A resolution
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
Authors:Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel.
Cell Rep, 27, 2019
3OFH
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BU of 3ofh by Molmil
Structured Domain of Mus musculus Mesd
Descriptor: LDLR chaperone MESD
Authors:Collins, M.N, Hendrickson, W.A.
Deposit date:2010-08-14
Release date:2011-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains
Structure, 2011
6LC8
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BU of 6lc8 by Molmil
Crystal structure of AmpC Ent385 complex form with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ...
Authors:Kawai, A, Doi, Y.
Deposit date:2019-11-18
Release date:2020-04-22
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020
3CX8
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BU of 3cx8 by Molmil
Crystal Structure of PDZRhoGEF rgRGS Domain in a Complex with Galpha-13 Bound to GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein alpha-13 subunit, MAGNESIUM ION, ...
Authors:Sprang, S.R, Chen, Z.
Deposit date:2008-04-23
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of the Activated States of Galpha13 by the rgRGS Domain of PDZRhoGEF.
Structure, 16, 2008
6L9I
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BU of 6l9i by Molmil
Crystal Structure of Lactobacillus farciminis Oxalate Decarboxylase Formate Complex
Descriptor: FORMIC ACID, MANGANESE (II) ION, Oxalate decarboxylase
Authors:Wu, F, Cheng, L.K, Wang, C.Y.
Deposit date:2019-11-10
Release date:2021-01-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of Lactobacillus farciminis Oxalate Decarboxylase Formate Complex
To Be Published
3D7C
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BU of 3d7c by Molmil
Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2
Descriptor: General control of amino acid synthesis protein 5-like 2
Authors:Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-05-21
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3CEQ
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BU of 3ceq by Molmil
The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
Descriptor: Kinesin light chain 2
Authors:Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
To be Published
3QVG
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BU of 3qvg by Molmil
XRCC1 bound to DNA ligase
Descriptor: DNA ligase 3, DNA repair protein XRCC1
Authors:Cuneo, M.J, Krahn, J.M, London, R.E.
Deposit date:2011-02-25
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
3OMH
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BU of 3omh by Molmil
Crystal structure of PTPN22 in complex with SKAP-HOM pTyr75 peptide
Descriptor: Src kinase-associated phosphoprotein 2, Tyrosine-protein phosphatase non-receptor type 22
Authors:Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y.
Deposit date:2010-08-26
Release date:2011-06-29
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate Specificity of Lymphoid-specific Tyrosine Phosphatase (Lyp) and Identification of Src Kinase-associated Protein of 55 kDa Homolog (SKAP-HOM) as a Lyp Substrate.
J.Biol.Chem., 286, 2011
3OMQ
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BU of 3omq by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
6LAD
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BU of 6lad by Molmil
Crystal structure of Amuc_1100 from Akkermansia muciniphila
Descriptor: Amuc_1100
Authors:Wang, J, Xiang, R, Zhang, M, Wang, M.
Deposit date:2019-11-12
Release date:2020-08-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
6LGY
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BU of 6lgy by Molmil
Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an inward-facing state complexed with glycine and sodium
Descriptor: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCINE, NONAETHYLENE GLYCOL, ...
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Substrate binding in the bile acid transporter ASBT Yf from Yersinia frederiksenii.
Acta Crystallogr D Struct Biol, 77, 2021
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
Descriptor: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Authors:Hong, W, Chen, H, Wu, Q, Lin, T.
Deposit date:2019-09-23
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
2LIQ
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BU of 2liq by Molmil
Solution structure of CCL2 in complex with glycan
Descriptor: CCL2 lectin, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Schubert, M, Bleuler-Martinez, S, Walti, M.A, Egloff, P, Aebi, M, Kuenzler, M, Allain, F.H.-T.
Deposit date:2011-08-30
Release date:2012-06-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Plasticity of the beta-Trefoil Protein Fold in the Recognition and Control of Invertebrate Predators and Parasites by a Fungal Defence System
Plos Pathog., 8, 2012
3COJ
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BU of 3coj by Molmil
Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1
Descriptor: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
Authors:Shen, Y, Tong, L.
Deposit date:2008-03-28
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural evidence for direct interactions between the BRCT domains of human BRCA1 and a phospho-peptide from human ACC1
Biochemistry, 47, 2008
2LEW
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BU of 2lew by Molmil
Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4
Descriptor: Alpha-defensin 4
Authors:Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Craik, D.J.
Deposit date:2011-06-24
Release date:2012-05-16
Last modified:2013-06-19
Method:SOLUTION NMR
Cite:The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance.
Amino Acids, 43, 2012
3OOG
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BU of 3oog by Molmil
human cAMP-dependent protein kinase in complex with a small fragment
Descriptor: 1-(4-hydroxy-3-methylphenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-08-31
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment based drug design on human PKA
To be Published
3PRY
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BU of 3pry by Molmil
Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
Authors:Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3AGL
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BU of 3agl by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039
Descriptor: (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
Deposit date:2010-04-02
Release date:2010-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010

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