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4XP5
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BU of 4xp5 by Molmil
X-ray structure of Drosophila dopamine transporter bound to cocaine analogue-RTI55
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment heavy chain-protein, 9D5-heavy chain, ...
Authors:Gouaux, E, Penmatsa, A, Wang, K.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XPB
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BU of 4xpb by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to cocaine
Descriptor: Antibody fragment heavy chain-protein, 9D5-heavy chain, Antibody fragment light chain-protein, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XPT
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BU of 4xpt by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations D121G/S426M and EL2 deletion of 162-201 in complex with substrate analogue 3,4 dichlorophen ethylamine
Descriptor: 2-(3,4-dichlorophenyl)ethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-17
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XNX
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BU of 4xnx by Molmil
X-ray structure of Drosophila dopamine transporter in complex with reboxetine
Descriptor: (2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine, Antibody fragment heavy chain, CHLORIDE ION, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine.
Nat.Struct.Mol.Biol., 22, 2015
4XP6
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BU of 4xp6 by Molmil
X-ray structure of Drosophila dopamine transporter bound to psychostimulant methamphetamine
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody fragment heavy chain-protein, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
6T69
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BU of 6t69 by Molmil
Crystal structure of Toxoplasma gondii Morn1(V shape)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Membrane occupation and recognition nexus protein MORN1, ...
Authors:Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6T6Q
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BU of 6t6q by Molmil
Crystal structure of Toxoplasma gondii Morn1 (extended conformation).
Descriptor: Membrane occupation and recognition nexus protein MORN1
Authors:Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6KYB
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BU of 6kyb by Molmil
Crystal structure of Atg18 from Saccharomyces cerevisiae
Descriptor: Autophagy-related protein 18
Authors:Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S.
Deposit date:2019-09-17
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
4DOY
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BU of 4doy by Molmil
Crystal structure of Dibenzothiophene desulfurization enzyme C
Descriptor: Dibenzothiophene desulfurization enzyme C, GLYCEROL
Authors:Liu, S, Zhang, C, Zhu, D, Gu, L.
Deposit date:2012-02-12
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
5NMI
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BU of 5nmi by Molmil
Cytochrome bc1 bound to the inhibitor MJM170
Descriptor: (4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ARG-ASN-TRP-VAL-PRO-THR-ALA-GLN-LEU-TRP-GLY-ALA-VAL-GLY-ALA-VAL-GLY-LEU-VAL-SER-ALA-THR, ...
Authors:Capper, N.J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-04-05
Release date:2017-06-14
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New paradigms for understanding and step changes in treating active and chronic, persistent apicomplexan infections.
Sci Rep, 6, 2016
8JLP
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BU of 8jlp by Molmil
Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex
Descriptor: 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
7F7H
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BU of 7f7h by Molmil
SARS-CoV-2 S protein RBD in complex with A8-1 Fab
Descriptor: Heavy chain of A8-1 Fab, Light chain of A8-1 Fab, Spike glycoprotein S1
Authors:Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
Deposit date:2021-06-29
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:High throughput isolation of potent neutralizing antibodies from convalescent COVID-19 patients.
To Be Published
3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
Descriptor: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
Descriptor: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Descriptor: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
Authors:Liu, Y.-L, Lin, F.-Y, Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
Descriptor: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-07-18
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
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
5AHU
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BU of 5ahu by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ...
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-02-09
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
8JLK
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BU of 8jlk by Molmil
Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLQ
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BU of 8jlq by Molmil
Fenoldopam-bound hTAAR1-Gs protein complex
Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023

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數據於2024-06-19公開中

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