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6BGZ
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BU of 6bgz by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47)
Descriptor: 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGU
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BU of 6bgu by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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BU of 6bh2 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6NY4
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BU of 6ny4 by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
Descriptor: 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2019-02-11
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 10, 2019
6BH1
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BU of 6bh1 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
3OG7
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BU of 3og7 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
Descriptor: AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Authors:Zhang, Y, Zhang, K.Y, Zhang, C.
Deposit date:2010-08-16
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
4ZIM
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BU of 4zim by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
Descriptor: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-04-28
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8JYS
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BU of 8jys by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two 2S-1244 nanobodies
Descriptor: IBT-CoV144 nanobody, Spike protein S1
Authors:Yang, Y, Zhang, C.H.
Deposit date:2023-07-03
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A novel nanobody broadly neutralizes SARS-CoV-2 via induction of spike trimer dimers conformation.
Exploration (Beijing), 4, 2024
6OVG
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BU of 6ovg by Molmil
L-Methionine Depletion with an Engineered Human Enzyme Disrupts Prostate Cancer Metabolism
Descriptor: Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Irani, S, Zhang, J.
Deposit date:2019-05-07
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:Enzyme-mediated depletion of serum l-Met abrogates prostate cancer growth via multiple mechanisms without evidence of systemic toxicity.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OHY
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BU of 6ohy by Molmil
Chimpanzee SIV Env trimeric ectodomain.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pallesen, J, Andrabi, R, de Val, N, Burton, D.R, Ward, A.B.
Deposit date:2019-04-08
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The Chimpanzee SIV Envelope Trimer: Structure and Deployment as an HIV Vaccine Template.
Cell Rep, 27, 2019
6SJD
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BU of 6sjd by Molmil
ZC3H12B-ribonuclease domain bound to RNA
Descriptor: CACODYLATE ION, MAGNESIUM ION, Probable ribonuclease ZC3H12B, ...
Authors:Morgunova, E, Bourenkov, G, Taipale, J.
Deposit date:2019-08-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Binding specificities of human RNA-binding proteins toward structured and linear RNA sequences.
Genome Res., 30, 2020
6V97
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BU of 6v97 by Molmil
Kindlin-3 double deletion mutant short form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
6V9G
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BU of 6v9g by Molmil
Kindlin-3 double deletion mutant long form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
7EBK
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BU of 7ebk by Molmil
Mouse Trim66 PHD-Bromo dual domain complexed with the H3(1-24)K9me3K18ac peptide
Descriptor: H3K9me3K18ac, Tripartite motif-containing protein 66, ZINC ION
Authors:Wang, Z, Jiang, J.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
6POP
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BU of 6pop by Molmil
Crystal structure of DauA in complex with NADP+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-04
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
7EBJ
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BU of 7ebj by Molmil
Apo structure of the mouse Trim66 PHD-Bromo dual domain
Descriptor: Tripartite motif-containing protein 66, ZINC ION
Authors:Wang, Z, Jiang, J.
Deposit date:2021-03-09
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells.
Cell Stem Cell, 29, 2022
7SO7
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BU of 7so7 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
Descriptor: FAB B1 LC, Fab B1 HC, Toxin B
Authors:Liu, J.
Deposit date:2021-10-29
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
7SO5
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BU of 7so5 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
Descriptor: Fab B2 HC, Fab B2 LC, Toxin B
Authors:Liu, J.
Deposit date:2021-10-29
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022
6PNU
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BU of 6pnu by Molmil
Crystal structure of native DauA
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-03
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PTK
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BU of 6ptk by Molmil
Crystal structure of the sulfatase PsS1_NC C84A with bound sulfate ion
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2019-07-16
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
8GTD
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BU of 8gtd by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex
Descriptor: Head-to-tail joining protein, Portal protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTA
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BU of 8gta by Molmil
Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid
Descriptor: Major capsid protein
Authors:Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-07
Release date:2023-07-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTF
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BU of 8gtf by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex
Descriptor: Head-to-tail joining protein, Major tail protein, Terminator protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTB
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BU of 8gtb by Molmil
Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein
Descriptor: Major tail protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTC
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BU of 8gtc by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex
Descriptor: Distal tail protein, Hub protein, Major tail protein, ...
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023

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PDB entries from 2024-07-10

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