3JRA
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2OQI
| Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine | Descriptor: | (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) | Authors: | 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. | Deposit date: | 2007-01-31 | Release date: | 2007-04-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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8R1F
| Monomeric E6AP-E6-p53 ternary complex | Descriptor: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | Authors: | Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H. | Deposit date: | 2023-11-01 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structural insights into viral hijacking of p53 by E6 and E6AP Biorxiv, 2023
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2OL0
| High Resolution Crystal Structures of Vaccinia Virus dUTPase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DEOXYURIDINE-5'-DIPHOSPHATE, ... | Authors: | Schormann, N, Chattopadhyay, D. | Deposit date: | 2007-01-18 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | Deposit date: | 2023-08-21 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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6ROH
| Cryo-EM structure of the autoinhibited Drs2p-Cdc50p | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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2ON9
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8Q84
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3JWE
| Crystal structure of human mono-glyceride lipase in complex with SAR629 | Descriptor: | 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein | Authors: | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | Deposit date: | 2009-09-18 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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) | Descriptor: | peptide corresponding to residues 8-11 of yeast prion sup35 | Authors: | 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. | Deposit date: | 2007-01-24 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | 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 | Descriptor: | ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ... | Authors: | 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) | Deposit date: | 2009-09-18 | Release date: | 2009-10-20 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 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 | Descriptor: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | 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 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ... | Authors: | Kiss, L, Boland, A, Neuhaus, D, James, L.C. | Deposit date: | 2019-06-30 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | 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) | Deposit date: | 2009-09-21 | Release date: | 2009-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Human dipeptidyl peptidase DPP7 To be Published
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8QYP
| Beta-cardiac myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | 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 | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Cao, D, Xiong, B. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | 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) | Descriptor: | M2e-VHH-23m, Matrix protein 2 | Authors: | Van Molle, I, De Vlieger, D, Schepens, B, Remaut, H, Saelens, X. | Deposit date: | 2019-06-18 | Release date: | 2020-01-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | 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 | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | 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 | Descriptor: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L. | Deposit date: | 2019-06-19 | Release date: | 2019-10-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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 | Descriptor: | Nanobody Re21D01, Nanobody Re30H02, Spike protein S1 | Authors: | Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 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 | Descriptor: | Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1 | Authors: | Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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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