2VTD
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![BU of 2vtd by Molmil](/molmil-images/mine/2vtd) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | Deposit date: | 2008-05-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J. Med. Chem., 51, 2008
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1NMY
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![BU of 1nmy by Molmil](/molmil-images/mine/1nmy) | Crystal structure of human thymidylate kinase with FLTMP and AppNHp | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7LYB
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![BU of 7lyb by Molmil](/molmil-images/mine/7lyb) | Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c | Descriptor: | BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | Deposit date: | 2021-03-06 | Release date: | 2021-07-28 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation. Nature, 596, 2021
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5M2A
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![BU of 5m2a by Molmil](/molmil-images/mine/5m2a) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-10-12 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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2VWL
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![BU of 2vwl by Molmil](/molmil-images/mine/2vwl) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7NUM
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![BU of 7num by Molmil](/molmil-images/mine/7num) | Rhinovirus-14 ICAM-1 empty particle at pH 6.2 | Descriptor: | Genome polyprotein, P1 | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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7NUL
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![BU of 7nul by Molmil](/molmil-images/mine/7nul) | Rhinovirus-14 ICAM-1 activated particle at pH 6.2 | Descriptor: | Genome polyprotein, P1 | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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5M36
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![BU of 5m36 by Molmil](/molmil-images/mine/5m36) | The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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2W9E
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![BU of 2w9e by Molmil](/molmil-images/mine/2w9e) | Structure of ICSM 18 (anti-Prp therapeutic antibody) Fab fragment complexed with human Prp fragment 119-231 | Descriptor: | ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, MAJOR PRION PROTEIN, ... | Authors: | Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J. | Deposit date: | 2009-01-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody. Proc.Natl.Acad.Sci.USA, 106, 2009
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1OAY
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![BU of 1oay by Molmil](/molmil-images/mine/1oay) | |
1R2A
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![BU of 1r2a by Molmil](/molmil-images/mine/1r2a) | THE MOLECULAR BASIS FOR PROTEIN KINASE A ANCHORING REVEALED BY SOLUTION NMR | Descriptor: | PROTEIN (CAMP-DEPENDENT PROTEIN KINASE TYPE II REGULATORY SUBUNIT) | Authors: | Newlon, M.G, Roy, M, Morikis, D, Hausken, Z.E, Coghlan, V, Scott, J.D, Jennings, P.A. | Deposit date: | 1998-12-07 | Release date: | 1998-12-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The molecular basis for protein kinase A anchoring revealed by solution NMR. Nat.Struct.Biol., 6, 1999
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5M27
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![BU of 5m27 by Molmil](/molmil-images/mine/5m27) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-10-12 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7NUO
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![BU of 7nuo by Molmil](/molmil-images/mine/7nuo) | Rhinovirus 14 empty particle at pH 6.2 | Descriptor: | Genome polyprotein, P1 | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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1RO8
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![BU of 1ro8 by Molmil](/molmil-images/mine/1ro8) | Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analogue, cytidine-5'-monophosphate | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, alpha-2,3/8-sialyltransferase | Authors: | Chiu, C.P, Watts, A.G, Lairson, L.L, Gilbert, M, Lim, D, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2003-12-01 | Release date: | 2004-02-03 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analog. Nat.Struct.Mol.Biol., 11, 2004
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7NUQ
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![BU of 7nuq by Molmil](/molmil-images/mine/7nuq) | Rhinovirus 14 virion-like at pH 6.2 | Descriptor: | Genome polyprotein, Octanucleotide | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MBG
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![BU of 5mbg by Molmil](/molmil-images/mine/5mbg) | Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, IODIDE ION | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7NUN
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![BU of 7nun by Molmil](/molmil-images/mine/7nun) | Rhinovirus 14 ICAM-1 virion-like particle at pH 6.2 | Descriptor: | Genome polyprotein, Octanucleotide | Authors: | Hrebik, D, Plevka, P. | Deposit date: | 2021-03-12 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating. Proc.Natl.Acad.Sci.USA, 118, 2021
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7O25
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![BU of 7o25 by Molmil](/molmil-images/mine/7o25) | Complex-B bound [FeFe]-hydrogenase maturase HydE from T. maritima (reaction triggered in the crystal) | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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1R6C
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![BU of 1r6c by Molmil](/molmil-images/mine/1r6c) | High resolution structure of ClpN | Descriptor: | ATP-dependent Clp protease ATP-binding subunit clpA | Authors: | Xia, D, Maurizi, M.R, Guo, F, Singh, S.K, Esser, L. | Deposit date: | 2003-10-15 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic investigation of peptide binding sites in the N-domain of the
ClpA chaperone J.Struct.Biol., 146, 2004
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7O1P
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![BU of 7o1p by Molmil](/molmil-images/mine/7o1p) | [FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBONATE ION, CHLORIDE ION, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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7O26
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![BU of 7o26 by Molmil](/molmil-images/mine/7o26) | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (5'dA + Methionine) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBON MONOXIDE, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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7O1S
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![BU of 7o1s by Molmil](/molmil-images/mine/7o1s) | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Wild-type protein) | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | Deposit date: | 2021-03-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B. J.Am.Chem.Soc., 143, 2021
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