2KNF
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![BU of 2knf by Molmil](/molmil-images/mine/2knf) | Solution structure and functional characterization of human plasminogen kringle 5 | Descriptor: | Plasminogen | Authors: | Battistel, M.D, Grishaev, A, An, S.A, Castellino, F.J, Llinas, M. | Deposit date: | 2009-08-21 | Release date: | 2009-10-27 | Last modified: | 2021-10-13 | Method: | SOLUTION NMR | Cite: | Solution structure and functional characterization of human plasminogen kringle 5. Biochemistry, 48, 2009
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438D
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1CEH
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![BU of 1ceh by Molmil](/molmil-images/mine/1ceh) | STRUCTURE AND FUNCTION OF THE CATALYTIC SITE MUTANT ASP99ASN OF PHOSPHOLIPASE A2: ABSENCE OF CONSERVED STRUCTURAL WATER | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Kumar, A, Sekharudu, C, Ramakrishnan, B, Dupureur, C.M, Zhu, H, Tsai, M.-D, Sundaralingam, M. | Deposit date: | 1994-11-16 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the catalytic site mutant Asp 99 Asn of phospholipase A2: absence of the conserved structural water. Protein Sci., 3, 1994
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3V3M
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![BU of 3v3m by Molmil](/molmil-images/mine/3v3m) | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | Authors: | Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R. | Deposit date: | 2011-12-13 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. J.Med.Chem., 56, 2013
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1DNS
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1DN8
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1D78
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![BU of 1d78 by Molmil](/molmil-images/mine/1d78) | HIGH RESOLUTION REFINEMENT OF THE HEXAGONAL A-DNA OCTAMER D(GTGTACAC) AT 1.4 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3') | Authors: | Thota, N, Li, X.H, Bingman, C.A, Sundaralingam, M. | Deposit date: | 1992-06-12 | Release date: | 1993-04-15 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution refinement of the hexagonal A-DNA octamer d(GTGTACAC) at 1.4 A. Acta Crystallogr.,Sect.D, 49, 1993
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4BCT
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![BU of 4bct by Molmil](/molmil-images/mine/4bct) | Crystal structure of kiwi-fruit allergen Act d 2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, THAUMATIN-LIKE PROTEIN | Authors: | Pavkov-Keller, T, Bublin, M, Jankovic, M, Breiteneder, H, Keller, W. | Deposit date: | 2012-10-03 | Release date: | 2013-10-16 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal Structure of Kiwi-Fruit Allergen Act D 2 To be Published
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1D79
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![BU of 1d79 by Molmil](/molmil-images/mine/1d79) | HIGH RESOLUTION REFINEMENT OF THE HEXAGONAL A-DNA OCTAMER D(GTGTACAC) AT 1.4 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3') | Authors: | Thota, N, Li, X.H, Bingman, C.A, Sundaralingam, M. | Deposit date: | 1992-06-12 | Release date: | 1993-04-15 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution refinement of the hexagonal A-DNA octamer d(GTGTACAC) at 1.4 A. Acta Crystallogr.,Sect.D, 49, 1993
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4BJ0
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![BU of 4bj0 by Molmil](/molmil-images/mine/4bj0) | Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses | Descriptor: | CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... | Authors: | Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2013-04-15 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions. Proteins, 82, 2014
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1EQR
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![BU of 1eqr by Molmil](/molmil-images/mine/1eqr) | CRYSTAL STRUCTURE OF FREE ASPARTYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI | Descriptor: | ASPARTYL-TRNA SYNTHETASE, MAGNESIUM ION | Authors: | Rees, B, Webster, G, Delarue, M, Boeglin, M, Moras, D. | Deposit date: | 2000-04-06 | Release date: | 2000-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Aspartyl tRNA-synthetase from Escherichia coli: flexibility and adaptability to the substrates. J.Mol.Biol., 299, 2000
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138D
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![BU of 138d by Molmil](/molmil-images/mine/138d) | A-DNA DECAMER D(GCGGGCCCGC)-HEXAGONAL CRYSTAL FORM | Descriptor: | DNA (5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3') | Authors: | Ramakrishnan, B, Sundaralingam, M. | Deposit date: | 1993-09-15 | Release date: | 1994-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evidence for crystal environment dominating base sequence effects on DNA conformation: crystal structures of the orthorhombic and hexagonal polymorphs of the A-DNA decamer d(GCGGGCCCGC) and comparison with their isomorphous crystal structures. Biochemistry, 32, 1993
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137D
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![BU of 137d by Molmil](/molmil-images/mine/137d) | A-DNA DECAMER D(GCGGGCCCGC)-ORTHORHOMBIC CRYSTAL FORM | Descriptor: | DNA (5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3') | Authors: | Ramakrishnan, B, Sundaralingam, M. | Deposit date: | 1993-09-15 | Release date: | 1994-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evidence for crystal environment dominating base sequence effects on DNA conformation: crystal structures of the orthorhombic and hexagonal polymorphs of the A-DNA decamer d(GCGGGCCCGC) and comparison with their isomorphous crystal structures. Biochemistry, 32, 1993
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5O9H
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![BU of 5o9h by Molmil](/molmil-images/mine/5o9h) | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ... | Authors: | Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H. | Deposit date: | 2017-06-19 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727. Nature, 553, 2018
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3ZHU
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![BU of 3zhu by Molmil](/molmil-images/mine/3zhu) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, second post-decarboxylation intermediate from 2-oxoadipate | Descriptor: | (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHS
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![BU of 3zhs by Molmil](/molmil-images/mine/3zhs) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from alpha-ketoglutarate | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHQ
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![BU of 3zhq by Molmil](/molmil-images/mine/3zhq) | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD | Descriptor: | CALCIUM ION, MAGNESIUM ION, MULTIFUNCTIONAL 2-OXOGLUTARATE METABOLISM ENZYME, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHT
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![BU of 3zht by Molmil](/molmil-images/mine/3zht) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate | Descriptor: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHV
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![BU of 3zhv by Molmil](/molmil-images/mine/3zhv) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, post-decarboxylation intermediate from pyruvate (2-hydroxyethyl-ThDP) | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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409D
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![BU of 409d by Molmil](/molmil-images/mine/409d) | CRYSTAL STRUCTURE OF AN RNA R(CCCIUGGG) WITH THREE INDEPENDENT DUPLEXES INCORPORATING TANDEM I.U WOBBLES | Descriptor: | RNA (5'-R(*CP*CP*CP*IP*UP*GP*GP*G)-3') | Authors: | Pan, B, Mitra, S.N, Sun, L, Hart, D, Sundaralingam, M. | Deposit date: | 1998-06-26 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of an RNA octamer duplex r(CCCIUGGG)2 incorporating tandem I.U wobbles. Nucleic Acids Res., 26, 1998
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418D
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405D
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420D
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3ZHR
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![BU of 3zhr by Molmil](/molmil-images/mine/3zhr) | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD showing the active site lid closed | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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422D
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![BU of 422d by Molmil](/molmil-images/mine/422d) | |