8GNN
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![BU of 8gnn by Molmil](/molmil-images/mine/8gnn) | Crystal structure of the human RAD9-RAD1-HUS1-RAD17 complex | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Cell cycle checkpoint protein RAD17, ... | Authors: | Hara, K, Nagata, K, Iida, N, Hashimoto, H. | Deposit date: | 2022-08-24 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | The 9-1-1 DNA clamp subunit RAD1 forms specific interactions with clamp loader RAD17, revealing functional implications for binding-protein RHINO. J.Biol.Chem., 299, 2023
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8GCI
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![BU of 8gci by Molmil](/molmil-images/mine/8gci) | |
8GNG
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![BU of 8gng by Molmil](/molmil-images/mine/8gng) | Crystal structure of human adenosine A2A receptor in complex with istradefylline. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ... | Authors: | Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M. | Deposit date: | 2022-08-23 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol., 103, 2023
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5J3U
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![BU of 5j3u by Molmil](/molmil-images/mine/5j3u) | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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8G6P
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![BU of 8g6p by Molmil](/molmil-images/mine/8g6p) | Crystal structure of Mycobacterium thermoresistibile MurE in complex with ADP and 2,6-Diaminopimelic acid | Descriptor: | 2,6-DIAMINOPIMELIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Rossini, N.O, Silva, C.S, Dias, M.V.B. | Deposit date: | 2023-02-15 | Release date: | 2023-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The crystal structure of Mycobacterium thermoresistibile MurE ligase reveals the binding mode of the substrate m-diaminopimelate. J.Struct.Biol., 215, 2023
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8GBE
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![BU of 8gbe by Molmil](/molmil-images/mine/8gbe) | |
5J48
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![BU of 5j48 by Molmil](/molmil-images/mine/5j48) | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP | Descriptor: | 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | Deposit date: | 2016-03-31 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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8GAI
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![BU of 8gai by Molmil](/molmil-images/mine/8gai) | |
5I0S
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![BU of 5i0s by Molmil](/molmil-images/mine/5i0s) | Thiosulfate bound Cysteine Dioxygenase at pH 6.2 | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION, THIOSULFATE | Authors: | Kean, K.M, Driggers, C.M, Karplus, P.A. | Deposit date: | 2016-02-04 | Release date: | 2016-12-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase. J. Mol. Biol., 428, 2016
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8GSG
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![BU of 8gsg by Molmil](/molmil-images/mine/8gsg) | T3R3 form of Human insulin with single Zn | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Zhu, Z.L. | Deposit date: | 2022-09-06 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | T3R3 insulin with single Zn To Be Published
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8GOD
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![BU of 8god by Molmil](/molmil-images/mine/8god) | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | Deposit date: | 2022-08-24 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci Rep, 13, 2023
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8HM9
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![BU of 8hm9 by Molmil](/molmil-images/mine/8hm9) | |
8GNE
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![BU of 8gne by Molmil](/molmil-images/mine/8gne) | Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M. | Deposit date: | 2022-08-23 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol., 103, 2023
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5I2U
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![BU of 5i2u by Molmil](/molmil-images/mine/5i2u) | Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome | Descriptor: | Cellulase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Garg, R, Brahma, V, Srivastava, R, Verma, L, Karthikeyan, S, Sahni, G. | Deposit date: | 2016-02-09 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome Sci Rep, 6, 2016
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8GTK
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![BU of 8gtk by Molmil](/molmil-images/mine/8gtk) | |
8HP4
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![BU of 8hp4 by Molmil](/molmil-images/mine/8hp4) | CtPDC complex | Descriptor: | MAGNESIUM ION, Pyruvate decarboxylase, THIAMINE DIPHOSPHATE | Authors: | Xu, H.H, Song, W. | Deposit date: | 2022-12-11 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis To Be Published
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8HP2
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![BU of 8hp2 by Molmil](/molmil-images/mine/8hp2) | CtPDC | Descriptor: | Pyruvate decarboxylase | Authors: | Xu, H.H, Song, W. | Deposit date: | 2022-12-11 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis To Be Published
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5I3O
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![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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8HS7
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![BU of 8hs7 by Molmil](/molmil-images/mine/8hs7) | |
8HRV
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![BU of 8hrv by Molmil](/molmil-images/mine/8hrv) | dutpase of helicobacter pylori 26695 | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Kumari, K, Gourinath, S. | Deposit date: | 2022-12-16 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | dutpase of helicobacter pylori 26695 To Be Published
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5I3R
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![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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8EQ9
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![BU of 8eq9 by Molmil](/molmil-images/mine/8eq9) | Co-crystal structure of PERK with compound 11 | Descriptor: | (2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | Deposit date: | 2022-10-07 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors. Pharmaceutics, 14, 2022
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8EQD
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![BU of 8eqd by Molmil](/molmil-images/mine/8eqd) | Co-crystal structure of PERK with compound 24 | Descriptor: | (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | Deposit date: | 2022-10-07 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors. Pharmaceutics, 14, 2022
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8EQE
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![BU of 8eqe by Molmil](/molmil-images/mine/8eqe) | Co-crystal structure of PERK with compound 26 | Descriptor: | (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | Deposit date: | 2022-10-07 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.559 Å) | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors. Pharmaceutics, 14, 2022
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5I7H
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![BU of 5i7h by Molmil](/molmil-images/mine/5i7h) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid] | Descriptor: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ... | Authors: | Schnell, R, Maric, S, Schneider, G. | Deposit date: | 2016-02-17 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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