6D53
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6D91
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![BU of 6d91 by Molmil](/molmil-images/mine/6d91) | Crystal structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter in the outward-open, apo conformation | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Divalent metal cation transporter MntH | Authors: | Bozzi, A.T, Zimanyi, C.M, Nicoludis, J.M, Gaudet, R. | Deposit date: | 2018-04-27 | Release date: | 2019-02-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Structures in multiple conformations reveal distinct transition metal and proton pathways in an Nramp transporter. Elife, 8, 2019
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1ZX2
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![BU of 1zx2 by Molmil](/molmil-images/mine/1zx2) | Crystal Structure of Yeast UBP3-associated Protein BRE5 | Descriptor: | UBP3-associated protein BRE5 | Authors: | Li, K, Zhao, K, Ossareh-Nazari, B, Da, G, Dargemont, C, Marmorstein, R. | Deposit date: | 2005-06-06 | Release date: | 2005-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for interaction between the Ubp3 deubiquitinating enzyme and its Bre5 cofactor J.Biol.Chem., 280, 2005
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6DDK
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![BU of 6ddk by Molmil](/molmil-images/mine/6ddk) | Crystal structure of the double mutant (D52N/R367Q) of the full-length NT5C2 in the basal state | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DE1
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![BU of 6de1 by Molmil](/molmil-images/mine/6de1) | Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the active state | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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3LC5
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![BU of 3lc5 by Molmil](/molmil-images/mine/3lc5) | Selective Benzothiophine Inhibitors of Factor IXa | Descriptor: | 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX | Authors: | Wang, S, Beck, R. | Deposit date: | 2010-01-09 | Release date: | 2010-02-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors. J.Med.Chem., 53, 2010
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1VZU
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![BU of 1vzu by Molmil](/molmil-images/mine/1vzu) | Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | Authors: | Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K. | Deposit date: | 2004-05-27 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase. Glycobiology, 14, 2004
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6KBL
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![BU of 6kbl by Molmil](/molmil-images/mine/6kbl) | Structure-function study of AKR4C14, an aldo-keto reductase from Thai Jasmine rice (Oryza sativa L. ssp. Indica cv. KDML105) | Descriptor: | ACETATE ION, Aldo-keto reductase, CACODYLATE ION, ... | Authors: | Songsiriritthigul, C, Narawongsanont, R, Guan, H.H, Chen, C.J. | Deposit date: | 2019-06-25 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-function study of AKR4C14, an aldo-keto reductase from Thai jasmine rice (Oryza sativa L. ssp. indica cv. KDML105). Acta Crystallogr D Struct Biol, 76, 2020
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3BA0
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![BU of 3ba0 by Molmil](/molmil-images/mine/3ba0) | Crystal structure of full-length human MMP-12 | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I. | Deposit date: | 2007-11-07 | Release date: | 2008-07-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12. J.Am.Chem.Soc., 130, 2008
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3KXH
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![BU of 3kxh by Molmil](/molmil-images/mine/3kxh) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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3KU3
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![BU of 3ku3 by Molmil](/molmil-images/mine/3ku3) | Crystal structure of a H2N2 influenza virus hemagglutinin, avian like | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2009-11-26 | Release date: | 2010-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic. J.Virol., 84, 2010
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3KOA
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![BU of 3koa by Molmil](/molmil-images/mine/3koa) | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA and GTP | Descriptor: | 3D polymerase, DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | Deposit date: | 2009-11-13 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin J.Virol., 84, 2010
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3KU6
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![BU of 3ku6 by Molmil](/molmil-images/mine/3ku6) | Crystal structure of a H2N2 influenza virus hemagglutinin, 226L/228G | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2009-11-26 | Release date: | 2010-01-19 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic. J.Virol., 84, 2010
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2K9Q
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![BU of 2k9q by Molmil](/molmil-images/mine/2k9q) | Solution NMR structure of HTH_XRE family transcriptional regulator BT_p548217 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR244. | Descriptor: | uncharacterized protein | Authors: | Ramelot, T.A, Cort, J.R, Zhao, L, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-23 | Release date: | 2008-11-18 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of HTH_XRE family transcriptional regulator BT_p548217 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR244. To be Published
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4AJP
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![BU of 4ajp by Molmil](/molmil-images/mine/4ajp) | Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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3CQL
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![BU of 3cql by Molmil](/molmil-images/mine/3cql) | Crystal Structure of GH family 19 chitinase from Carica papaya | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase, ... | Authors: | Huet, J, Rucktoa, P, Clantin, B, Azarkan, M, Looze, Y, Villeret, V, Wintjens, R. | Deposit date: | 2008-04-03 | Release date: | 2008-08-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray Structure of Papaya Chitinase Reveals the Substrate Binding Mode of Glycosyl Hydrolase Family 19 Chitinases. Biochemistry, 47, 2008
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3KXM
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![BU of 3kxm by Molmil](/molmil-images/mine/3kxm) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74 | Descriptor: | Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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4AJ4
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![BU of 4aj4 by Molmil](/molmil-images/mine/4aj4) | rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid | Descriptor: | 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJL
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![BU of 4ajl by Molmil](/molmil-images/mine/4ajl) | rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJN
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![BU of 4ajn by Molmil](/molmil-images/mine/4ajn) | rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid | Descriptor: | (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJO
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![BU of 4ajo by Molmil](/molmil-images/mine/4ajo) | rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJE
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![BU of 4aje by Molmil](/molmil-images/mine/4aje) | rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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1D5D
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4AJI
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![BU of 4aji by Molmil](/molmil-images/mine/4aji) | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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1SRV
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![BU of 1srv by Molmil](/molmil-images/mine/1srv) | THERMUS THERMOPHILUS GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 192-336 | Descriptor: | PROTEIN (GROEL (HSP60 CLASS)) | Authors: | Walsh, M.A, Dementieva, I, Evans, G, Sanishvili, R, Joachimiak, A. | Deposit date: | 1999-03-02 | Release date: | 1999-03-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Taking MAD to the extreme: ultrafast protein structure determination. Acta Crystallogr.,Sect.D, 55, 1999
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