6MBH
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7DKP
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7DRK
| Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine diphosphate-diacylglycerol | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ... | Authors: | Yang, B.W, Liu, Z.F. | Deposit date: | 2020-12-28 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface. Curr Res Struct Biol, 3, 2021
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7D8E
| Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-10-08 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 To Be Published
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7DRJ
| Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, ACETIC ACID, ... | Authors: | Yang, B.W, Liu, Z.F. | Deposit date: | 2020-12-28 | Release date: | 2021-12-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface. Curr Res Struct Biol, 3, 2021
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6LLB
| Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, in complex with 6 nt RNA | Descriptor: | MPY-RNase J, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, ... | Authors: | Li, D.F, Hou, Y.J, Guo, L. | Deposit date: | 2019-12-22 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A newly identified duplex RNA unwinding activity of archaeal RNase J depends on processive exoribonucleolysis coupled steric occlusion by its structural archaeal loops. Rna Biol., 17, 2020
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7DMM
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6LXA
| X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2020-02-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7DQR
| Crystal structure of Sulfurisphaera tokodaii methylated O6-methylguanine methyltransferase | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | Authors: | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsonoda, M. | Deposit date: | 2020-12-24 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DQQ
| Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase Y91F/C120S variant in complex with O6-methyldeoxyguanosine | Descriptor: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, Methylated-DNA--protein-cysteine methyltransferase | Authors: | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | Deposit date: | 2020-12-24 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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7DQT
| Crystal structure of O6-methylguanine methyltransferase Y91F variant | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | Authors: | Kikuchi, M, Iizuka, Y, Yamauchi, T, Tsunoda, M. | Deposit date: | 2020-12-24 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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6M37
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7DPO
| Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-21 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29994035 Å) | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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6M8P
| Human ERAP1 bound to phosphinic pseudotripeptide inhibitor DG013 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide, ... | Authors: | Maben, Z, Stern, L.J. | Deposit date: | 2018-08-22 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism. Nat Commun, 12, 2021
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7DPN
| Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-20 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79998839 Å) | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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6LZ2
| Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | Authors: | Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D. | Deposit date: | 2020-02-17 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification. Commun Biol, 3, 2020
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7DSU
| Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V | Descriptor: | 1,2-ETHANEDIOL, Mbo45V, SINEFUNGIN | Authors: | Ahmed, I, Chouhan, O.P, Gopinath, A, Morgan, R.D, Bhagat, K, Singh, A, Saikrishnan, K. | Deposit date: | 2021-01-02 | Release date: | 2022-01-05 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V To Be Published
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6M36
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7L26
| HPK1 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7D66
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7L24
| HPK1 IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7L25
| HPK1 IN COMPLEX WITH COMPOUND 18 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7DLM
| Short chain dehydrogenase (SCR) crystal structure with NADPH | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-28 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLD
| Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-27 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7KLK
| Human Arginase1 Complexed with Inhibitor Compound 3a | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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