8PAS
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![BU of 8pas by Molmil](/molmil-images/mine/8pas) | Crystal structure of MAP4K1 with a SMOL inhibitor | Descriptor: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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2OJW
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![BU of 2ojw by Molmil](/molmil-images/mine/2ojw) | Crystal structure of human glutamine synthetase in complex with ADP and phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J.Mol.Biol., 375, 2008
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3CHE
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3CHC
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![BU of 3chc by Molmil](/molmil-images/mine/3chc) | |
3CH9
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3CKU
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1IDK
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![BU of 1idk by Molmil](/molmil-images/mine/1idk) | PECTIN LYASE A | Descriptor: | PECTIN LYASE A | Authors: | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | Deposit date: | 1996-10-04 | Release date: | 1997-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases. Structure, 5, 1997
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1IDJ
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![BU of 1idj by Molmil](/molmil-images/mine/1idj) | PECTIN LYASE A | Descriptor: | PECTIN LYASE A | Authors: | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | Deposit date: | 1996-10-04 | Release date: | 1997-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases. Structure, 5, 1997
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5KBR
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![BU of 5kbr by Molmil](/molmil-images/mine/5kbr) | Pak1 in complex with 7-azaindole inhibitor | Descriptor: | (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone, Serine/threonine-protein kinase PAK 1 | Authors: | Ferguson, A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett, 7, 2016
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5KBQ
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![BU of 5kbq by Molmil](/molmil-images/mine/5kbq) | Pak1 in complex with bis-anilino pyrimidine inhibitor | Descriptor: | Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | Authors: | Ferguson, A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett, 7, 2016
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1G35
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![BU of 1g35 by Molmil](/molmil-images/mine/1g35) | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | Descriptor: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-23 | Release date: | 2001-06-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
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1G2K
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![BU of 1g2k by Molmil](/molmil-images/mine/1g2k) | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | Descriptor: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-20 | Release date: | 2001-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
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7OWL
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![BU of 7owl by Molmil](/molmil-images/mine/7owl) | Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP | Descriptor: | Adenylate kinase, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OWK
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![BU of 7owk by Molmil](/molmil-images/mine/7owk) | Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP | Descriptor: | Adenylate kinase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OWH
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![BU of 7owh by Molmil](/molmil-images/mine/7owh) | Odinarchaeota Adenylate kinase (OdinAK) native structure | Descriptor: | Adenylate kinase, CHLORIDE ION | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7OWJ
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![BU of 7owj by Molmil](/molmil-images/mine/7owj) | Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP | Descriptor: | Adenylate kinase, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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1H4P
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![BU of 1h4p by Molmil](/molmil-images/mine/1h4p) | Crystal structure of exo-1,3-beta glucanse from Saccharomyces cerevisiae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCAN 1,3-BETA-GLUCOSIDASE I/II, GLYCEROL, ... | Authors: | Ferguson, A.D. | Deposit date: | 2001-05-11 | Release date: | 2003-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Er Protein Folding Sensor Udp-Glucose Glycoprotein:Glucosyltransferase Modifies Substrates Distant to Local Changes in Glycoprotein Conformation. Nat.Struct.Mol.Biol., 11, 2004
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1HFU
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![BU of 1hfu by Molmil](/molmil-images/mine/1hfu) | TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS at 1.68 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE 1, ... | Authors: | Ducros, V, Brzozowski, A.M. | Deposit date: | 2000-12-08 | Release date: | 2001-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structure of the Laccase from Coprinus Cinereus at 1.68A Resolution: Evidence for Different Type 2 Cu-Depleted Isoforms Acta Crystallogr.,Sect.D, 57, 2001
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2QC8
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![BU of 2qc8 by Molmil](/molmil-images/mine/2qc8) | Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ... | Authors: | Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-19 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J.Mol.Biol., 375, 2008
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1QJF
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![BU of 1qjf by Molmil](/molmil-images/mine/1qjf) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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1QJE
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![BU of 1qje by Molmil](/molmil-images/mine/1qje) | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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8A96
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![BU of 8a96 by Molmil](/molmil-images/mine/8a96) | SARS Cov2 Spike RBD in complex with Fab47 | Descriptor: | Fab47 Heavy chain (variable domain), Fab47 Light chain (variable domain), Spike protein S1 | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2022-06-27 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Immunoglobulin germline gene polymorphisms influence the function of SARS-CoV-2 neutralizing antibodies. Immunity, 56, 2023
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1IHP
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![BU of 1ihp by Molmil](/molmil-images/mine/1ihp) | STRUCTURE OF PHOSPHOMONOESTERASE | Descriptor: | PHYTASE, SULFATE ION | Authors: | Kostrewa, D. | Deposit date: | 1997-02-04 | Release date: | 1998-03-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of phytase from Aspergillus ficuum at 2.5 A resolution. Nat.Struct.Biol., 4, 1997
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8A99
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![BU of 8a99 by Molmil](/molmil-images/mine/8a99) | SARS Cov2 Spike in 1-up conformation complex with Fab47 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab47 (Heavy chain variable domain), ... | Authors: | Hallberg, B.M, Das, H. | Deposit date: | 2022-06-28 | Release date: | 2023-05-10 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Immunoglobulin germline gene polymorphisms influence the function of SARS-CoV-2 neutralizing antibodies. Immunity, 56, 2023
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1C3L
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![BU of 1c3l by Molmil](/molmil-images/mine/1c3l) | SUBTILISIN-CARLSBERG COMPLEXED WITH XENON (8 BAR) | Descriptor: | CALCIUM ION, FORMIC ACID, SUBTILISIN-CARLSBERG, ... | Authors: | Prange, T, Schiltz, M, Pernot, L, Colloc'h, N, Longhi, S. | Deposit date: | 1999-07-28 | Release date: | 1999-08-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Exploring hydrophobic sites in proteins with xenon or krypton. Proteins, 30, 1998
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