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9AUW
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BU of 9auw by Molmil
Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE9979
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AUV
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BU of 9auv by Molmil
Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE9123
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AUX
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BU of 9aux by Molmil
Crystal structure of A. baumannii GuaB dCBS with inhibitor GNE2011
Descriptor: 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AUZ
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BU of 9auz by Molmil
Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9979
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AV2
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BU of 9av2 by Molmil
Crystal structure of E. coli GuaB dCBS with inhibitor GNE9979
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AUY
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BU of 9auy by Molmil
Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9123
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AV1
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BU of 9av1 by Molmil
Crystal structure of E. coli GuaB dCBS with inhibitor GNE9123
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
9AV3
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BU of 9av3 by Molmil
Crystal structure of E. coli GuaB dCBS with inhibitor GNE2011
Descriptor: 9-{(1R)-1-[(5P)-5-(4-chloro-1H-imidazol-2-yl)pyridin-3-yl]ethoxy}-1,4-dihydro-2H-pyrano[3,4-c]quinoline, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Harris, S.F, Wu, P.
Deposit date:2024-03-01
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
6KN5
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BU of 6kn5 by Molmil
Crystal structure of AFF4 C-terminal domain
Descriptor: AF4/FMR2 family member 4
Authors:Chen, L.J, Yang, W.S, Xu, R.M.
Deposit date:2019-08-03
Release date:2020-07-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acetylation of histone H3K27 signals the transcriptional elongation for estrogen receptor alpha.
Commun Biol, 3, 2020
8WQO
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BU of 8wqo by Molmil
Crystal structure of BRD4-BD1 bound with DI106
Descriptor: (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4
Authors:Cao, D, Xiong, B.
Deposit date:2023-10-12
Release date:2024-07-24
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structure-Based Rational Design and Evaluation of BET-Aurora Kinase Dual-Inhibitors for Treatment of Cancers.
J.Med.Chem., 68, 2025
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
Descriptor: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
3G9I
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BU of 3g9i by Molmil
GR DNA Binding domain: Pal complex-35
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), ...
Authors:Pufall, M.A, Yamamoto, K.R, Meijsing, S.H.
Deposit date:2009-02-13
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
3HC5
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BU of 3hc5 by Molmil
FXR with SRC1 and GSK826
Descriptor: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
2GTG
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BU of 2gtg by Molmil
Crystal Structure of Human Saposin C
Descriptor: Proactivator polypeptide
Authors:Prive, G.G, Ahn, V.E.
Deposit date:2006-04-28
Release date:2006-07-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of saposins A and C.
Protein Sci., 15, 2006
2DOB
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BU of 2dob by Molmil
Crystal Structure of Human Saposin A
Descriptor: CALCIUM ION, Proactivator polypeptide
Authors:Prive, G.G, Ahn, V.E.
Deposit date:2006-04-28
Release date:2006-07-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of saposins A and C.
Protein Sci., 15, 2006
2V6Q
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BU of 2v6q by Molmil
Crystal Structure of a BHRF-1 : Bim BH3 complex
Descriptor: BCL-2-LIKE PROTEIN 11, BHRF1 PROTEIN, BROMIDE ION
Authors:Kvansakul, M, Huang, D.C.S, Colman, P.M.
Deposit date:2007-07-20
Release date:2008-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
2EFL
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BU of 2efl by Molmil
Crystal structure of the EFC domain of formin-binding protein 17
Descriptor: Formin-binding protein 1
Authors:Shimada, A, Niwa, H, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-23
Release date:2007-05-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Curved EFC/F-BAR-Domain Dimers Are Joined End to End into a Filament for Membrane Invagination in Endocytosis
Cell(Cambridge,Mass.), 129, 2007
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
Descriptor: ZINC ION, Zinc finger protein CONSTANS
Authors:Liu, R, Lv, X, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
Descriptor: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
Authors:Lv, X, Liu, R, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VLA
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BU of 7vla by Molmil
Cryo-EM structure of the CCL15(27-92) bound CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CCL15(27-92), CHOLESTEROL, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7VL8
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BU of 7vl8 by Molmil
Cryo-EM structure of the Apo CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7VL9
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BU of 7vl9 by Molmil
Cryo-EM structure of the CCL15(26-92) bound CCR1-Gi complex
Descriptor: C-C chemokine receptor type 1, CCL15(26-92), CHOLESTEROL, ...
Authors:Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
Deposit date:2021-10-02
Release date:2022-03-23
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
6NF0
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BU of 6nf0 by Molmil
Nocturnin with bound NADPH substrate
Descriptor: CALCIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nocturnin
Authors:Estrella, M.A, Du, J, Korennykh, A.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The metabolites NADP+and NADPH are the targets of the circadian protein Nocturnin (Curled).
Nat Commun, 10, 2019
3M5B
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BU of 3m5b by Molmil
Crystal structure of the BTB domain from FAZF/ZBTB32
Descriptor: Zinc finger and BTB domain-containing protein 32
Authors:Stogios, P.J, Pomroy, N.C, Prive, G.G.
Deposit date:2010-03-12
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010

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