5YPN
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![BU of 5ypn by Molmil](/molmil-images/mine/5ypn) | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | Authors: | Feng, H, Liu, W, Wang, D. | Deposit date: | 2017-11-02 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
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5YPM
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![BU of 5ypm by Molmil](/molmil-images/mine/5ypm) | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | Authors: | Feng, H, Wang, D, Liu, W. | Deposit date: | 2017-11-02 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
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5ENH
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![BU of 5enh by Molmil](/molmil-images/mine/5enh) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENB
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![BU of 5enb by Molmil](/molmil-images/mine/5enb) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5Z8O
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![BU of 5z8o by Molmil](/molmil-images/mine/5z8o) | |
7WYI
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![BU of 7wyi by Molmil](/molmil-images/mine/7wyi) | Native Photosystem I of Chlamydomonas reinhardtii | Descriptor: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | Authors: | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | Deposit date: | 2022-02-16 | Release date: | 2023-02-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
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7WZN
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![BU of 7wzn by Molmil](/molmil-images/mine/7wzn) | PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin | Descriptor: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | Authors: | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
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5ENC
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![BU of 5enc by Molmil](/molmil-images/mine/5enc) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5HSM
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![BU of 5hsm by Molmil](/molmil-images/mine/5hsm) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 | Descriptor: | SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887 | Authors: | Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. | Deposit date: | 2016-01-26 | Release date: | 2017-02-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
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1QM4
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![BU of 1qm4 by Molmil](/molmil-images/mine/1qm4) | Methionine Adenosyltransferase Complexed with a L-Methionine Analogue | Descriptor: | L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, METHIONINE ADENOSYLTRANSFERASE, ... | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | Deposit date: | 1999-09-20 | Release date: | 2000-09-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The Crystal Structure of Tetrameric Methionine Adenosyltransferase from Rat Liver Reveals the Methionine-Binding Site J.Mol.Biol., 300, 2000
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7F70
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![BU of 7f70 by Molmil](/molmil-images/mine/7f70) | Crystal structure of Rv3094c | Descriptor: | Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y, Zhang, H.T. | Deposit date: | 2021-06-26 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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7F74
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![BU of 7f74 by Molmil](/molmil-images/mine/7f74) | Rv3094c in complex with FMN. | Descriptor: | FLAVIN MONONUCLEOTIDE, Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y. | Deposit date: | 2021-06-27 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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8PW2
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8PW4
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7F72
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![BU of 7f72 by Molmil](/molmil-images/mine/7f72) | Rv3094c in complex with FAD and ETH. | Descriptor: | 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y. | Deposit date: | 2021-06-27 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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3X3M
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![BU of 3x3m by Molmil](/molmil-images/mine/3x3m) | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121 | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | Deposit date: | 2015-01-24 | Release date: | 2015-12-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase. Faseb J., 29, 2015
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1I9B
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![BU of 1i9b by Molmil](/molmil-images/mine/1i9b) | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYLCHOLINE BINDING PROTEIN, CALCIUM ION | Authors: | Brejc, K, van Dijk, W.J, Klaassen, R, Schuurmans, M, van der Oost, J, Smit, A.B, Sixma, T.K. | Deposit date: | 2001-03-18 | Release date: | 2001-05-16 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors. Nature, 411, 2001
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3WY7
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![BU of 3wy7 by Molmil](/molmil-images/mine/3wy7) | Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF | Descriptor: | 8-amino-7-oxononanoate synthase | Authors: | Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J. | Deposit date: | 2014-08-20 | Release date: | 2014-12-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase Int.J.Biochem.Cell Biol., 58C, 2014
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3X3N
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![BU of 3x3n by Molmil](/molmil-images/mine/3x3n) | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 | Descriptor: | CALCIUM ION, ESX-1 secretion system protein EccB1 | Authors: | Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C. | Deposit date: | 2015-01-24 | Release date: | 2015-12-09 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase. Faseb J., 29, 2015
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3ZME
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![BU of 3zme by Molmil](/molmil-images/mine/3zme) | |
5EBC
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![BU of 5ebc by Molmil](/molmil-images/mine/5ebc) | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state III) | Descriptor: | CALCIUM ION, ESX-1 secretion system protein eccB1 | Authors: | Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J. | Deposit date: | 2015-10-19 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.F, 72, 2016
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1H2D
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![BU of 1h2d by Molmil](/molmil-images/mine/1h2d) | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant). | Descriptor: | 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40 | Authors: | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | Deposit date: | 2002-08-06 | Release date: | 2003-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties Structure, 11, 2003
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1H2C
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![BU of 1h2c by Molmil](/molmil-images/mine/1h2c) | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant). | Descriptor: | 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40 | Authors: | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | Deposit date: | 2002-08-05 | Release date: | 2003-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties Structure, 11, 2003
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5EBD
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![BU of 5ebd by Molmil](/molmil-images/mine/5ebd) | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state IV) | Descriptor: | CALCIUM ION, CHLORIDE ION, ESX-1 secretion system protein eccB1 | Authors: | Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J. | Deposit date: | 2015-10-19 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.F, 72, 2016
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