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6CDE
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BU of 6cde by Molmil
Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5M9S
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BU of 5m9s by Molmil
Human angiogenin ALS variant V103I
Descriptor: Angiogenin, D(-)-TARTARIC ACID
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-02
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
6JIR
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BU of 6jir by Molmil
Crystal structure of C. crescentus beta sliding clamp with PEG bound to putative beta-motif tethering region
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER, ...
Authors:Jiang, X, Teng, M, Li, X.
Deposit date:2019-02-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
5JEU
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BU of 5jeu by Molmil
del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+
Descriptor: BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-04-19
Release date:2016-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
5DFG
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BU of 5dfg by Molmil
Crystal structure of C-As lyase with mutations Y100H and V102F
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P.
Deposit date:2015-08-26
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9711 Å)
Cite:Crystal structure of C-As lyase with mutations Y100H and F102V
To Be Published
8W53
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BU of 8w53 by Molmil
Crystal structure of LbUGT in complex with UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Hu, D, Wang, G.Q.
Deposit date:2023-08-25
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.42816162 Å)
Cite:Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines.
Nat Commun, 15, 2024
4SGA
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BU of 4sga by Molmil
STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE PROTEASE CATALYSIS
Descriptor: PROTEINASE A (SGPA), TETRAPEPTIDE ACE-PRO-ALA-PRO-PHE
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1990-05-29
Release date:1991-10-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis.
J.Mol.Biol., 144, 1980
5JN8
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BU of 5jn8 by Molmil
Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ...
Authors:Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
Deposit date:2016-04-29
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5G39
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BU of 5g39 by Molmil
PsbO subunit of Photosystem II, beta barrel domain at 297K, pH 6
Descriptor: CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE
Authors:Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H.
Deposit date:2016-04-24
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
8B8X
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BU of 8b8x by Molmil
Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
5DCO
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BU of 5dco by Molmil
R2-like ligand-binding oxidase with aerobically reconstituted diiron cofactor (short soak)
Descriptor: FE (III) ION, PALMITIC ACID, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
5G4X
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BU of 5g4x by Molmil
The crystal structure of the SHANK3 N-terminus
Descriptor: 1,2-ETHANEDIOL, SH3 AND MULTIPLE ANKYRIN REPEAT DOMAINS PROTEIN 3
Authors:Zacharchenko, T, Barsukov, I.
Deposit date:2016-05-17
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:SHANK proteins limit integrin activation by directly interacting with Rap1 and R-Ras.
Nat. Cell Biol., 19, 2017
5DII
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BU of 5dii by Molmil
Structure of an engineered bacterial microcompartment shell protein binding a [4Fe-4S] cluster
Descriptor: IRON/SULFUR CLUSTER, Microcompartments protein
Authors:Sutter, M, Aussignargues, C, Turmo, A, Kerfeld, C.A.
Deposit date:2015-09-01
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure and Function of a Bacterial Microcompartment Shell Protein Engineered to Bind a [4Fe-4S] Cluster.
J.Am.Chem.Soc., 138, 2016
5G2Q
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BU of 5g2q by Molmil
The crystal structure of a S-selective transaminase from Arthrobacter sp. with alanine bound
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, TRANSAMINASE
Authors:van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W.
Deposit date:2016-04-12
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Biochemistry, 55, 2016
6JKC
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BU of 6jkc by Molmil
Crystal structure of tetrameric PepTSo2 in P4212 space group
Descriptor: Proton:oligopeptide symporter POT family
Authors:Nagamura, R, Fukuda, M, Ishitani, R, Nureki, O.
Deposit date:2019-02-28
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for oligomerization of the prokaryotic peptide transporter PepTSo2.
Acta Crystallogr.,Sect.F, 75, 2019
4TXV
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BU of 4txv by Molmil
Crystal structure of the mixed disulfide intermediate between thioredoxin-like TlpAs(C110S) and subunit II of cytochrome c oxidase CoxBPD (C233S)
Descriptor: Cytochrome c oxidase subunit 2, Thiol:disulfide interchange protein TlpA
Authors:Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R.
Deposit date:2014-07-07
Release date:2014-10-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation.
J.Biol.Chem., 289, 2014
5MLP
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BU of 5mlp by Molmil
Structure of CDPS from Rickettsiella grylli
Descriptor: Uncharacterized protein
Authors:Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E.
Deposit date:2016-12-07
Release date:2018-05-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J.Struct.Biol., 203, 2018
5G3A
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BU of 5g3a by Molmil
PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 10
Descriptor: CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE
Authors:Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H.
Deposit date:2016-04-25
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.224 Å)
Cite:Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
6R6N
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BU of 6r6n by Molmil
Recombinantly produced Kusta0087/Kusta0088 Complex, C32M/C101M mutant
Descriptor: HEME C, KustA0088, Small soluble cyt c
Authors:Akram, M, Barends, T.
Deposit date:2019-03-27
Release date:2019-10-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A nitric oxide-binding heterodimeric cytochromeccomplex from the anammox bacteriumKuenenia stuttgartiensisbinds to hydrazine synthase.
J.Biol.Chem., 294, 2019
5MP5
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BU of 5mp5 by Molmil
Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 6.5
Descriptor: Microtubule-associated protein tau, antibody Fab heavy chain, antibody Fab light chain
Authors:Skrabana, R, Novak, M.
Deposit date:2016-12-15
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 6.5
To be published
5EQ4
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BU of 5eq4 by Molmil
Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis
Descriptor: ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
7ZRQ
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BU of 7zrq by Molmil
1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex
Descriptor: CALCIUM ION, Calcium/calmodulin-dependent protein kinase type II subunit delta, Calmodulin-1, ...
Authors:Helassa, N, Antonyuk, S.
Deposit date:2022-05-04
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Calmodulin variant E140G associated with long QT syndrome impairs CaMKII delta autophosphorylation and L-type calcium channel inactivation.
J.Biol.Chem., 299, 2022
5JHE
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BU of 5jhe by Molmil
The Crystal Structure of the Saccharomyces cerevisiae Co-Chaperone Cpr7
Descriptor: Peptidyl-prolyl cis-trans isomerase CYP7
Authors:Yu, Q, Xu, L.
Deposit date:2016-04-20
Release date:2017-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of the Saccharomyces cerevisiae Co-Chaperone Cpr7
To Be Published
6VRU
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BU of 6vru by Molmil
PIM-inhibitor complex 1
Descriptor: 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
Authors:Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J.
Deposit date:2020-02-10
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30, 2020
5JEZ
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BU of 5jez by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser
Descriptor: ACETATE ION, Met-Ala-Ser, Peptide deformylase, ...
Authors:Fieulaine, S, Giglione, C, Meinnel, T.
Deposit date:2016-04-19
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016

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數據於2024-11-06公開中

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