7LZI
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5IPR
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![BU of 5ipr by Molmil](/molmil-images/mine/5ipr) | Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 3 | Descriptor: | Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E. | Deposit date: | 2016-03-09 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (14.1 Å) | Cite: | Mechanism of NMDA Receptor Inhibition and Activation. Cell, 165, 2016
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5ZT1
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![BU of 5zt1 by Molmil](/molmil-images/mine/5zt1) | Structure of the bacterial pathogens ATPase with substrate ATP gamma S | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ... | Authors: | Gao, X.P, Mu, Z.X, Cui, S. | Deposit date: | 2018-05-01 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.114 Å) | Cite: | Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri Front Microbiol, 9, 2018
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7LZH
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![BU of 7lzh by Molmil](/molmil-images/mine/7lzh) | Structure of the glutamate receptor-like channel AtGLR3.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Gangwar, S.P, Green, M.N, Sobolevsky, A.I. | Deposit date: | 2021-03-09 | Release date: | 2021-07-28 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4. Mol.Cell, 81, 2021
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4HRQ
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![BU of 4hrq by Molmil](/molmil-images/mine/4hrq) | Identification of Function and Mechanistic Insights of Guanine Deaminase from Nitrosomonas europaea: Role of the C-terminal Loop in Catalysis | Descriptor: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | Authors: | Anand, R, Bitra, A, Bhukya, H, Tanwar, A.S. | Deposit date: | 2012-10-28 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of function and mechanistic insights of guanine deaminase from Nitrosomonas europaea: role of the C-terminal loop in catalysis Biochemistry, 52, 2013
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5LF5
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1QY2
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![BU of 1qy2 by Molmil](/molmil-images/mine/1qy2) | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | Descriptor: | 2-ISOPROPYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | Deposit date: | 2003-09-09 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc., 126, 2004
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1Y8H
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![BU of 1y8h by Molmil](/molmil-images/mine/1y8h) | HORSE METHEMOGLOBIN LOW SALT, PH 7.0 | Descriptor: | Hemoglobin alpha chains, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sankaranarayanan, R, Biswal, B.K, Vijayan, M. | Deposit date: | 2004-12-13 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A new relaxed state in horse methemoglobin characterized by crystallographic studies. Proteins, 60, 2005
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1U1M
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1QY1
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![BU of 1qy1 by Molmil](/molmil-images/mine/1qy1) | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | Deposit date: | 2003-09-09 | Release date: | 2004-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc., 126, 2004
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5ESE
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![BU of 5ese by Molmil](/molmil-images/mine/5ese) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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6T8Q
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![BU of 6t8q by Molmil](/molmil-images/mine/6t8q) | HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide, ACETATE ION, CADMIUM ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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5M18
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![BU of 5m18 by Molmil](/molmil-images/mine/5m18) | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
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3TVO
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5LGQ
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![BU of 5lgq by Molmil](/molmil-images/mine/5lgq) | Crystal structure of mouse CARM1 in complex with ligand P2C3s | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3TVN
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![BU of 3tvn by Molmil](/molmil-images/mine/3tvn) | Human Carbonic Anhydrase II Proton Transfer Mutant | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Mikulski, R.L, West, D.M, Sippel, K.H, Avvaru, B.S, Chingkuang, T, McKenna, R. | Deposit date: | 2011-09-20 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
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5ESF
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![BU of 5esf by Molmil](/molmil-images/mine/5esf) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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1YHJ
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![BU of 1yhj by Molmil](/molmil-images/mine/1yhj) | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | Descriptor: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | Deposit date: | 2005-01-09 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J.Biol.Chem., 280, 2005
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5LV3
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![BU of 5lv3 by Molmil](/molmil-images/mine/5lv3) | Crystal structure of mouse CARM1 in complex with ligand LH1561Br | Descriptor: | 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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2WMW
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![BU of 2wmw by Molmil](/molmil-images/mine/2wmw) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | Deposit date: | 2009-07-03 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMT
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![BU of 2wmt by Molmil](/molmil-images/mine/2wmt) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | Deposit date: | 2009-07-03 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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2WMV
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![BU of 2wmv by Molmil](/molmil-images/mine/2wmv) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | Deposit date: | 2009-07-03 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening. J.Med.Chem., 52, 2009
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5M00
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![BU of 5m00 by Molmil](/molmil-images/mine/5m00) | Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide from LCMV | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Achour, A, Sandalova, T, Sun, R, Han, X. | Deposit date: | 2016-10-03 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant To Be Published
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5M01
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![BU of 5m01 by Molmil](/molmil-images/mine/5m01) | Crystal structure of murine P14 TCR/ H-2Db complex with PA, modified gp33 peptide from LCMV | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Achour, A, Sandalova, T, Sun, R, Han, X. | Deposit date: | 2016-10-03 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant To Be Published
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5M02
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