1FAH
 
 | | STRUCTURE OF CYTOCHROME P450 | | Descriptor: | CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, H.Y, Poulos, T.L. | | Deposit date: | 1996-08-01 | | Release date: | 1997-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
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6JJ3
 | | BRD4 in complex with 138A | | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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6INM
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IMR
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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7U5B
 | | Structure of Human KLK5 bound to anti-KLK5 Fab | | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
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6INK
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-25 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6LNA
 | | YdiU complex with AMPNPP and Mn2+ | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, B, Yang, Y, Ma, Y. | | Deposit date: | 2019-12-28 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
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6IND
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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8GL9
 | | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | | Descriptor: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | | Authors: | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | | Deposit date: | 2023-03-21 | | Release date: | 2023-07-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
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8GLA
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6IM6
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-22 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IMT
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IMO
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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3LKZ
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6JCQ
 | | AAV1 in complex with AAVR | | Descriptor: | Capsid protein, Dyslexia-associated protein KIAA0319-like protein | | Authors: | Lou, Z, Zhang, R. | | Deposit date: | 2019-01-30 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
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6JCT
 | | AAV5 in neutral condition at 3.18 Ang | | Descriptor: | Capsid protein | | Authors: | Lou, Z, Zhang, R. | | Deposit date: | 2019-01-30 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
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6JJS
 | | Crystal structure of an enzyme from Penicillium herquei in condition2 | | Descriptor: | ACETATE ION, PhnH | | Authors: | Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-02-26 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
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6JJT
 | | Crystal structure of an enzyme from Penicillium herquei in condition1 | | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, PhnH | | Authors: | Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-02-26 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
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7ZOI
 | | Carbohydrate binding domain CBM92-A from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | | Descriptor: | Glycoside hydrolase family 18 | | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | | Deposit date: | 2022-04-25 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
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7ZOO
 | | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose | | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
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7ZON
 | | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose | | Descriptor: | Glycoside hydrolase family 18, PENTAETHYLENE GLYCOL, beta-D-glucopyranose | | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
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7ZOH
 | | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | | Descriptor: | Glycoside hydrolase family 18 | | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | | Deposit date: | 2022-04-25 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
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7ZOP
 | | Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose. | | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
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6U8Y
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5GJA
 | | Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA | | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRIDINE-2-CARBOXYLIC ACID, ZINC ION | | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Nat Commun, 8, 2017
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