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5IZF
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BU of 5izf by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408
Descriptor: 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Pflug, A, Enkvist, E, Uri, A, Engh, R.A.
Deposit date:2016-03-25
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
8DDK
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BU of 8ddk by Molmil
CCHFV GP38 Hoti/Kosovo bound with CC5_17
Descriptor: Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-18
Release date:2022-12-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
7QFN
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BU of 7qfn by Molmil
Human Topoisomerase II Beta ATPase ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ...
Authors:Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A.
Deposit date:2021-12-06
Release date:2022-05-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
7QO4
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BU of 7qo4 by Molmil
26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS)
Descriptor: 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6BFZ
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BU of 6bfz by Molmil
Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
7U0F
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BU of 7u0f by Molmil
HIV-1 Rev in complex with tubulin
Descriptor: Protein Rev, Tubulin alpha-1A chain, Tubulin beta chain
Authors:Eren, E.
Deposit date:2022-02-18
Release date:2023-08-23
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of microtubule depolymerization by the kinesin-like activity of HIV-1 Rev.
Structure, 31, 2023
7QFO
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BU of 7qfo by Molmil
Human Topoisomerase II Beta ATPase AMPPNP
Descriptor: ALANINE, DNA topoisomerase 2-beta, MAGNESIUM ION, ...
Authors:Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A.
Deposit date:2021-12-06
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
5LL4
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BU of 5ll4 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide
Descriptor: 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-26
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
6RV3
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BU of 6rv3 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-05-30
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
8CZG
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BU of 8czg by Molmil
Human BAK in complex with the dF3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, dF3 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
6HTP
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BU of 6htp by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with 7
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-04
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HV3
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BU of 6hv3 by Molmil
Yeast 20S proteasome with human beta2i (1-53)
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-10
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW6
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BU of 6hw6 by Molmil
Yeast 20S proteasome in complex with 20
Descriptor: MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6AT1
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BU of 6at1 by Molmil
STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Stevens, R.C, Gouaux, J.E, Lipscomb, W.N.
Deposit date:1990-04-26
Release date:1990-10-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution.
Biochemistry, 29, 1990
6X06
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BU of 6x06 by Molmil
Nup120 (aa1-757) from S. cerevisiae bound by VHH-SAN11
Descriptor: Nucleoporin NUP120, VHH-SAN11
Authors:Knockenhauer, K.E, Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.27 Å)
Cite:A nanobody suite for yeast scaffold nucleoporins provides details of the nuclear pore complex structure.
Nat Commun, 11, 2020
6O9Y
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BU of 6o9y by Molmil
Structure of human PARG complexed with JA2-8
Descriptor: 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase
Authors:Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
Deposit date:2019-03-15
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
7QPA
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BU of 7qpa by Molmil
Outward-facing auxin bound form of auxin transporter PIN8
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8
Authors:Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P.
Deposit date:2022-01-03
Release date:2022-07-06
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
5M1Q
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BU of 5m1q by Molmil
Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Zinc
Descriptor: Phage terminase large subunit, ZINC ION
Authors:Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A.
Deposit date:2016-10-09
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
6ZET
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BU of 6zet by Molmil
Crystal structure of proteinase K nanocrystals by electron diffraction with a 20 micrometre C2 condenser aperture
Descriptor: CALCIUM ION, Proteinase K
Authors:Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2024-10-16
Method:ELECTRON CRYSTALLOGRAPHY (2.701 Å)
Cite:A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
8PF0
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BU of 8pf0 by Molmil
Diubiquitin-derived artificial binding protein (Affilin) variant Af1 specific to oncofetal fibronectin
Descriptor: Affilin variant Af1 (77405), COPPER (II) ION, IMIDAZOLE
Authors:Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage.
Commun Biol, 7, 2024
6ZEV
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BU of 6zev by Molmil
Crystal structure of proteinase K lamellae by electron diffraction with a 20 micrometre C2 condenser aperture
Descriptor: CALCIUM ION, Proteinase K
Authors:Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (2.4 Å)
Cite:A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
5LD0
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BU of 5ld0 by Molmil
Chimeric GST
Descriptor: CHLORIDE ION, Glutathione S-transferase A1,Glutathione S-transferase alpha-2,Glutathione S-transferase A1
Authors:Axarli, A, Muleta, A.W, Chronopoulou, E.G, Papageorgiou, A.C, Labrou, N.E.
Deposit date:2016-06-23
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution of glutathione transferases towards a selective glutathione-binding site and improved oxidative stability.
Biochim. Biophys. Acta, 1861, 2017
6HVA
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BU of 6hva by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 13
Descriptor: (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-10
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTR
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BU of 6htr by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with 13
Descriptor: (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-04
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW9
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BU of 6hw9 by Molmil
Yeast 20S proteasome in complex with 41b
Descriptor: (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019

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