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7E0T
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BU of 7e0t by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36)
Descriptor: (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0O
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BU of 7e0o by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1)
Descriptor: 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.337 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0S
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BU of 7e0s by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23)
Descriptor: (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ...
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0U
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BU of 7e0u by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39)
Descriptor: 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
8SXG
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BU of 8sxg by Molmil
The C-terminal protease CtpA-LbcA complex of pseudomonas aeruginosa with the TPR at the low position
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
8SXE
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BU of 8sxe by Molmil
Structure of the C-terminal protease CtpA-LbcA complex of Pseudomonas aeruginosa
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
8SXH
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BU of 8sxh by Molmil
Structure of the C-terminal protease CtpA-LbcA complex of Pseudomonas aeruginosa
Descriptor: Carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
8SXF
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BU of 8sxf by Molmil
The C-terminal protease CtpA-LbcA complex of pseudomonas aeruginosa with the TPR at the high position
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, polyA
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
8K2D
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BU of 8k2d by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, eEF2, Stm1 and eIF5A
Descriptor: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Beckmann, R, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8K82
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BU of 8k82 by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, Not5 and P-site tRNA
Descriptor: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Beckmann, R, Cheng, J.
Deposit date:2023-07-28
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8THU
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BU of 8thu by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
Descriptor: DNA (145-MER), DNA (146-MER), Histone H2A.Z, ...
Authors:Abini-Agbomson, S, Armache, K.-J.
Deposit date:2023-07-18
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Mol.Cell, 83, 2023
8T9F
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BU of 8t9f by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
Descriptor: DNA (122-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Abini-Agbomson, S, Armache, K.-J.
Deposit date:2023-06-23
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Mol.Cell, 83, 2023
6O96
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BU of 6o96 by Molmil
Dot1L bound to the H2BK120 Ubiquitinated nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J.
Deposit date:2019-03-13
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination.
Mol.Cell, 74, 2019
1NIY
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BU of 1niy by Molmil
THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: HAINANTOXIN-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2002-12-30
Release date:2003-01-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure-Activity Relationships of Hainantoxin-IV and Structure Determination of Active and Inactive Sodium Channel Blockers.
J.Biol.Chem., 279, 2004
4LY9
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BU of 4ly9 by Molmil
Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
Descriptor: (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R.
Deposit date:2013-07-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
5XTO
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BU of 5xto by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (H114A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
6ICX
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BU of 6icx by Molmil
Crystal structure of H7 hemagglutinin mutant AH-AGPL (V186G) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID9
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BU of 6id9 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-SGTL ( A138S, V186G, P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-09
Release date:2019-11-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IF2
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BU of 6if2 by Molmil
Complex structure of Rab35 and its effector RUSC2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Iporin, MAGNESIUM ION, ...
Authors:Lin, L, Zhu, J, Zhang, R.
Deposit date:2018-09-18
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rab35/ACAP2 and Rab35/RUSC2 Complex Structures Reveal Molecular Basis for Effector Recognition by Rab35 GTPase.
Structure, 27, 2019
6ICW
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BU of 6icw by Molmil
Crystal structure of H7 hemagglutinin mutant AH-SGTQ (A138S, V186G, P221T and L226Q) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID2
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BU of 6id2 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AVTL (P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6IEW
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BU of 6iew by Molmil
The crystal structure of the dNxf2 UBA domain in complex with Panoramix
Descriptor: Fusion protein of Nuclear RNA export factor 2 and Protein panoramix, GLYCEROL
Authors:Huang, Y, Cheng, S.
Deposit date:2018-09-17
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation.
Nat.Cell Biol., 21, 2019

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