3JRA
 
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8R1F
 | | Monomeric E6AP-E6-p53 ternary complex | | 分子名称: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | | 著者 | Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H. | | 登録日 | 2023-11-01 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | | 主引用文献 | Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
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2OQI
 | | Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine | | 分子名称: | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) | | 著者 | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M. | | 登録日 | 2007-01-31 | | 公開日 | 2007-04-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
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2OL0
 | | High Resolution Crystal Structures of Vaccinia Virus dUTPase | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DEOXYURIDINE-5'-DIPHOSPHATE, ... | | 著者 | Schormann, N, Chattopadhyay, D. | | 登録日 | 2007-01-18 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
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8Q9S
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha', ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | | 著者 | Werner, C, Lindenblatt, D, Niefind, K. | | 登録日 | 2023-08-21 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.352 Å) | | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
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2ON9
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6ROH
 | | Cryo-EM structure of the autoinhibited Drs2p-Cdc50p | | 分子名称: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | | 登録日 | 2019-05-13 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
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8Q84
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3JWE
 | | Crystal structure of human mono-glyceride lipase in complex with SAR629 | | 分子名称: | 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein | | 著者 | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | | 登録日 | 2009-09-18 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
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2ONX
 | | NNQQ peptide corresponding to residues 8-11 of yeast prion sup35 (alternate crystal form) | | 分子名称: | peptide corresponding to residues 8-11 of yeast prion sup35 | | 著者 | Sawaya, M.R, Sambashivan, S, Nelson, R, Ivanova, M, Sievers, S.A, Apostol, M.I, Thompson, M.J, Balbirnie, M, Wiltzius, J.J, McFarlane, H, Madsen, A.O, Riekel, C, Eisenberg, D. | | 登録日 | 2007-01-24 | | 公開日 | 2007-02-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
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3JWP
 | | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ... | | 著者 | Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-18 | | 公開日 | 2009-10-20 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
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8QYQ
 | | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten | | 分子名称: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | 登録日 | 2023-10-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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6S53
 | | Crystal structure of TRIM21 RING domain in complex with an isopeptide-linked Ube2N~ubiquitin conjugate | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ... | | 著者 | Kiss, L, Boland, A, Neuhaus, D, James, L.C. | | 登録日 | 2019-06-30 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases.
Nat Commun, 10, 2019
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8QYU
 | | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | 登録日 | 2023-10-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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3JYH
 | | Human dipeptidyl peptidase DPP7 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 2, ... | | 著者 | Dobrovetsky, E, Dong, A, Seitova, A, Crombett, L, Paganon, S, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Hassel, A, Shewchuk, L, Bochkarev, A, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-21 | | 公開日 | 2009-10-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Human dipeptidyl peptidase DPP7
To be Published
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8QYP
 | | Beta-cardiac myosin motor domain in the pre-powerstroke state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | 登録日 | 2023-10-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.759 Å) | | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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8QBC
 | | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | | 分子名称: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
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2OPX
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8QYR
 | | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | 登録日 | 2023-10-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
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7X6T
 | | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | | 分子名称: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Xiong, B. | | 登録日 | 2022-03-08 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
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6S0Y
 | | Nanobody targeting influenza A matrix protein 2 ectodomain (M2e) | | 分子名称: | M2e-VHH-23m, Matrix protein 2 | | 著者 | Van Molle, I, De Vlieger, D, Schepens, B, Remaut, H, Saelens, X. | | 登録日 | 2019-06-18 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Selective Engagement of Fc gamma RIV by a M2e-Specific Single Domain Antibody Construct Protects Against Influenza A Virus Infection.
Front Immunol, 10, 2019
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8QBA
 | | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | | 分子名称: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
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6S1S
 | | Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor | | 分子名称: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L. | | 登録日 | 2019-06-19 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases.
Antibiotics, 8, 2019
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8Q93
 | | Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01 | | 分子名称: | Nanobody Re21D01, Nanobody Re30H02, Spike protein S1 | | 著者 | Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D. | | 登録日 | 2023-08-19 | | 公開日 | 2023-12-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
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8Q95
 | | Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05 | | 分子名称: | Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1 | | 著者 | Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D. | | 登録日 | 2023-08-19 | | 公開日 | 2023-12-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
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