5MJ2
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![BU of 5mj2 by Molmil](/molmil-images/mine/5mj2) | Extracellular domain of human CD83 - rhombohedral crystal form after UV-RIP (S-SAD data) | Descriptor: | CD83 antigen, DI(HYDROXYETHYL)ETHER | Authors: | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | Deposit date: | 2016-11-29 | Release date: | 2017-03-29 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
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5MJ0
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5MIX
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7PID
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![BU of 7pid by Molmil](/molmil-images/mine/7pid) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIE
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![BU of 7pie by Molmil](/molmil-images/mine/7pie) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.427 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIF
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![BU of 7pif by Molmil](/molmil-images/mine/7pif) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIH
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![BU of 7pih by Molmil](/molmil-images/mine/7pih) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIG
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![BU of 7pig by Molmil](/molmil-images/mine/7pig) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PNS
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![BU of 7pns by Molmil](/molmil-images/mine/7pns) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-09-07 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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5M2R
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![BU of 5m2r by Molmil](/molmil-images/mine/5m2r) | The Structure of the Ycf54 A9G mutant protein from Synechocystis sp. PCC6803 | Descriptor: | SULFATE ION, Ycf54-like protein | Authors: | Baker, P.J, Bliss, S, Hollinshead, S, Hunter, N. | Deposit date: | 2016-10-13 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conserved residues in Ycf54 are required for protochlorophyllide formation in Synechocystis sp. PCC 6803. Biochem. J., 474, 2017
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5M2U
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5NQY
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![BU of 5nqy by Molmil](/molmil-images/mine/5nqy) | Structure of a fHbp(V1.4):PorA(P1.16) chimera. Fusion at fHbp position 309. | Descriptor: | Factor H binding protein variant B16_001,Major outer membrane protein P.IA,Factor H binding protein variant B16_001 | Authors: | Johnson, S, Hollingshead, S, Lea, S.M, Tang, C.M. | Deposit date: | 2017-04-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of chimeric antigens for multivalent protein vaccines. Nat Commun, 9, 2018
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5NQZ
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![BU of 5nqz by Molmil](/molmil-images/mine/5nqz) | Structure of a fHbp(V1.1):PorA(P1.16) chimera. Fusion at fHbp position 309. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Factor H binding protein,Major outer membrane protein P.IA,Factor H binding protein, ... | Authors: | Johnson, S, Hollingshead, S, Lea, S.M, Tang, C.M. | Deposit date: | 2017-04-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-based design of chimeric antigens for multivalent protein vaccines. Nat Commun, 9, 2018
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5M2P
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![BU of 5m2p by Molmil](/molmil-images/mine/5m2p) | The Structure of the Ycf54 protein from Synechocystis sp. PCC6803 | Descriptor: | SULFATE ION, Ycf54-like protein | Authors: | Baker, P.J, Bliss, S, Hollinshead, S, Hunter, C.N. | Deposit date: | 2016-10-13 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Conserved residues in Ycf54 are required for protochlorophyllide formation in Synechocystis sp. PCC 6803. Biochem. J., 474, 2017
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5NQP
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![BU of 5nqp by Molmil](/molmil-images/mine/5nqp) | Structure of a fHbp(V1.4):PorA(P1.16) chimera. Fusion at fHbp position 151. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Factor H binding protein variant B16_001,Major outer membrane protein P.IA,Factor H binding protein variant B16_001, ... | Authors: | Johnson, S, Hollingshead, S, Lea, S.M, Tang, C.M. | Deposit date: | 2017-04-20 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure-based design of chimeric antigens for multivalent protein vaccines. Nat Commun, 9, 2018
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5TCH
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![BU of 5tch by Molmil](/molmil-images/mine/5tch) | Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form, TrpA-G66V mutant | Descriptor: | FORMIC ACID, MALONATE ION, Tryptophan synthase alpha chain, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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5TCI
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![BU of 5tci by Molmil](/molmil-images/mine/5tci) | Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form | Descriptor: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, FORMIC ACID, MALONATE ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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5TCJ
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![BU of 5tcj by Molmil](/molmil-images/mine/5tcj) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form | Descriptor: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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4IUD
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![BU of 4iud by Molmil](/molmil-images/mine/4iud) | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form with ascorbate - partly reduced state | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Hammer, M, Schmidt, A, Frielingsdorf, S, Fritsch, J, Lenz, O, Scheerer, P. | Deposit date: | 2013-01-20 | Release date: | 2014-04-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenase. Nat.Chem.Biol., 10, 2014
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4D6X
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![BU of 4d6x by Molmil](/molmil-images/mine/4d6x) | Crystal structure of the receiver domain of NtrX from Brucella abortus | Descriptor: | BACTERIAL REGULATORY, FIS FAMILY PROTEIN, IMIDAZOLE | Authors: | Klinke, S, Fernandez, I, Carrica, M.C, Otero, L.H, Goldbaum, F.A. | Deposit date: | 2014-11-18 | Release date: | 2015-07-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Snapshots of Conformational Changes Shed Light Into the Ntrx Receiver Domain Signal Transduction Mechanism J.Mol.Biol., 427, 2015
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2FUI
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2FUU
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2K3F
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2JMI
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![BU of 2jmi by Molmil](/molmil-images/mine/2jmi) | NMR solution structure of PHD finger fragment of Yeast Yng1 protein in free state | Descriptor: | Protein YNG1, ZINC ION | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | Deposit date: | 2006-11-15 | Release date: | 2007-07-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs Mol.Cell, 24, 2006
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2JMJ
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![BU of 2jmj by Molmil](/molmil-images/mine/2jmj) | NMR solution structure of the PHD domain from the yeast YNG1 protein in complex with H3(1-9)K4me3 peptide | Descriptor: | Histone H3, Protein YNG1, ZINC ION | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | Deposit date: | 2006-11-15 | Release date: | 2007-07-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs Mol.Cell, 24, 2006
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