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7PG4
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BU of 7pg4 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 2 insulin, conf 3
Descriptor: Insulin, Isoform Short of Insulin receptor
Authors:Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
Deposit date:2021-08-12
Release date:2022-02-02
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
7Q2E
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BU of 7q2e by Molmil
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT424
Descriptor: 2-bromanylpyridin-3-ol, DIMETHYL SULFOXIDE, Hydroxymycolate synthase MmaA4
Authors:Maveyraud, L, Galy, R, Mourey, L.
Deposit date:2021-10-25
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study.
Pharmaceuticals, 14, 2021
7PG3
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BU of 7pg3 by Molmil
Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2
Descriptor: Insulin, Isoform Short of Insulin receptor
Authors:Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P.
Deposit date:2021-08-12
Release date:2022-02-02
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling.
J.Mol.Biol., 434, 2022
7Q28
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BU of 7q28 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q27
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Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
3PV0
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BU of 3pv0 by Molmil
Crystal Structure of a pre-translocation state MBP-Maltose transporter complex without nucleotide
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Fused maltose transport subunit, ATP-binding component of ABC superfamily; regulatory protein, ...
Authors:Oldham, M.L, Chen, J.
Deposit date:2010-12-06
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the maltose transporter in a pretranslocation intermediate state.
Science, 332, 2011
7Q29
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BU of 7q29 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
3PX7
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BU of 3px7 by Molmil
Crystal Structure of covalent complex of topoisomerase 1A with substrate
Descriptor: DNA 5'-D(*A*AP*TP*GP*CP*GP*CP*T)-3', DNA 5'-D(*TP*TP*GP*GP*G)-3', DNA topoisomerase, ...
Authors:Zhang, Z, Tse-dinh, Y.C, Cheng, B.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of E. coli Topoisomerase I Trapped as Covalent Complex Intermediate with Cleaved DNA
To be Published
3VZL
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BU of 3vzl by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant
Descriptor: Endo-1,4-beta-xylanase, SULFATE ION
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-15
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3PL7
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BU of 3pl7 by Molmil
Crystal structure of Bcl-xL in complex with the BaxBH3 domain
Descriptor: Apoptosis regulator BAX, Bcl-2-like protein 1
Authors:Czabotar, P.E, Colman, P.M.
Deposit date:2010-11-14
Release date:2010-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.613 Å)
Cite:Mutation to Bax beyond the BH3 domain disrupts interactions with pro-survival proteins and promotes apoptosis
J.Biol.Chem., 286, 2011
7Q0L
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BU of 7q0l by Molmil
Crystal structure of the peptide transporter YePEPT-K314A at 2.93 A
Descriptor: Peptide transporter YePEPT
Authors:Jeckelmann, J.M, Stauffer, M, Ilgue, H, Boggavarapu, R, Fotiadis, D.
Deposit date:2021-10-15
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022
7PYR
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BU of 7pyr by Molmil
Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E.
Deposit date:2021-10-11
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
Angew.Chem.Int.Ed.Engl., 61, 2022
7PX4
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BU of 7px4 by Molmil
Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E.
Deposit date:2021-10-07
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
Angew.Chem.Int.Ed.Engl., 61, 2022
7Q0M
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BU of 7q0m by Molmil
Crystal structure of the peptide transporter YePEPT-K314A in complex with LZNV at 2.66 A
Descriptor: (2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid, Peptide transporter YePEPT, UNDECYL-MALTOSIDE
Authors:Jeckelmann, J.M, Stauffer, M, Ilgue, H, Fotiadis, D.
Deposit date:2021-10-15
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022
3V98
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BU of 3v98 by Molmil
S663D Stable-5-LOX
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
7PKR
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BU of 7pkr by Molmil
Vault structure in primmed conformation
Descriptor: Major vault protein
Authors:Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
Deposit date:2021-08-26
Release date:2022-03-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
7PKZ
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BU of 7pkz by Molmil
Vault structure in committed conformation
Descriptor: Major vault protein
Authors:Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
Deposit date:2021-08-27
Release date:2022-03-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
7PKY
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BU of 7pky by Molmil
Half-vault structure
Descriptor: Major vault protein
Authors:Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
Deposit date:2021-08-27
Release date:2022-03-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
3VGA
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BU of 3vga by Molmil
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, antibody fab fragment heavy chain, ...
Authors:Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T.
Deposit date:2011-08-04
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
3PK2
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BU of 3pk2 by Molmil
Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines
Descriptor: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Schirmer, T, Heinisch, T.
Deposit date:2010-11-11
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
3PMH
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BU of 3pmh by Molmil
Mechanism of Sulfotyrosine-Mediated Glycoprotein Ib Interaction with Two Distinct alpha-Thrombin Sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, Platelet glycoprotein Ib alpha chain, ...
Authors:Varughese, K.I, Celikel, R.
Deposit date:2010-11-16
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding of alpha-thrombin to surface-anchored platelet glycoprotein Ib(alpha) sulfotyrosines through a two-site mechanism involving exosite I.
Proc.Natl.Acad.Sci.USA, 108, 2011
7Q4I
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Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1, ...
Authors:Gonzalez-Ramirez, A.M, Coelho, H, Companon, I, Grosso, A.S, Yang, Z, Narimatsu, Y, Clausen, H, Marcelo, F, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2021-10-31
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the synthesis of the core 1 structure by C1GalT1.
Nat Commun, 13, 2022
7Q35
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Crystal structure of the mutant bacteriorhodopsin pressurized with krypton
Descriptor: Bacteriorhodopsin, EICOSANE, HEXANE, ...
Authors:Melnikov, I, Rulev, M, Astashkin, R, Kovalev, K, Carpentier, P, Gordeliy, V, Popov, A.
Deposit date:2021-10-27
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-pressure crystallography shows noble gas intervention into protein-lipid interaction and suggests a model for anaesthetic action.
Commun Biol, 5, 2022
7PY4
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Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dieudonne, T, Abad-Herrera, S, Juknaviciute Laursen, M, Lejeune, M, Stock, C, Slimani, K, Jaxel, C, Lyons, J.A, Montigny, C, Gunther Pomorski, T, Nissen, P, Lenoir, G.
Deposit date:2021-10-08
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Autoinhibition and regulation by phosphoinositides of ATP8B1, a human lipid flippase associated with intrahepatic cholestatic disorders.
Elife, 11, 2022

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数据于2024-07-31公开中

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