1XPZ
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![BU of 1xpz by Molmil](/molmil-images/mine/1xpz) | Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | Descriptor: | 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION | Authors: | Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2004-10-11 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
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1X9F
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![BU of 1x9f by Molmil](/molmil-images/mine/1x9f) | Hemoglobin Dodecamer from Lumbricus Erythrocruorin | Descriptor: | CARBON MONOXIDE, Globin II, extracellular, ... | Authors: | Strand, K, Knapp, J.E, Bhyravbhatla, B, Royer Jr, W.E. | Deposit date: | 2004-08-20 | Release date: | 2004-11-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the hemoglobin dodecamer from lumbricus erythrocruorin: allosteric core of giant annelid respiratory complexes J.Mol.Biol., 344, 2004
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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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1F18
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![BU of 1f18 by Molmil](/molmil-images/mine/1f18) | Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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7F6Q
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![BU of 7f6q by Molmil](/molmil-images/mine/7f6q) | Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo state | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ... | Authors: | Kanaujia, S.P, Mandal, S.K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6S
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7F6T
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1F1A
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![BU of 1f1a by Molmil](/molmil-images/mine/1f1a) | Crystal structure of yeast H48Q cuznsod fals mutant analog | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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7F6F
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![BU of 7f6f by Molmil](/molmil-images/mine/7f6f) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CITRIC ACID, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6P
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![BU of 7f6p by Molmil](/molmil-images/mine/7f6p) | Crystal structure of metal-citrate-binding mutant (D28A) protein (MctA) of ABC transporter endogenously bound to citrate | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Mandal, S.K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6R
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7F6N
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7F6U
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![BU of 7f6u by Molmil](/molmil-images/mine/7f6u) | Crystal structure of metal-citrate-binding mutant (Y221A) protein (MctA) of ABC transporter in apo state | Descriptor: | 1,2-ETHANEDIOL, 2-(hydroxymethyl)butane-1,4-diol, 2-HYDROXY BUTANE-1,4-DIOL, ... | Authors: | Kanaujia, S.P, Mandal, S.K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6O
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7F6E
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![BU of 7f6e by Molmil](/molmil-images/mine/7f6e) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form I) | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6K
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![BU of 7f6k by Molmil](/molmil-images/mine/7f6k) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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1XQ0
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![BU of 1xq0 by Molmil](/molmil-images/mine/1xq0) | Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | Descriptor: | 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION | Authors: | Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2004-10-11 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
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1F1D
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![BU of 1f1d by Molmil](/molmil-images/mine/1f1d) | Crystal structure of yeast H46C cuznsod mutant | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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3GC4
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![BU of 3gc4 by Molmil](/molmil-images/mine/3gc4) | tRNA-guanine transglycosylase in complex with inhibitor | Descriptor: | 6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2009-02-21 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase Chemmedchem, 4, 2009
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1JER
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![BU of 1jer by Molmil](/molmil-images/mine/1jer) | CUCUMBER STELLACYANIN, CU2+, PH 7.0 | Descriptor: | COPPER (II) ION, CUCUMBER STELLACYANIN | Authors: | Hart, P.J, Nersissian, A.M, Herrmann, R.G, Nalbandyan, R.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 1996-08-21 | Release date: | 1997-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A missing link in cupredoxins: crystal structure of cucumber stellacyanin at 1.6 A resolution. Protein Sci., 5, 1996
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2HJP
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3W4J
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![BU of 3w4j by Molmil](/molmil-images/mine/3w4j) | Crystal Structure of human DAAO in complex with coumpound 12 | Descriptor: | 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | Deposit date: | 2013-01-09 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors. J.Med.Chem., 56, 2013
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1FSX
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1FKT
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![BU of 1fkt by Molmil](/molmil-images/mine/1fkt) | SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN | Descriptor: | FK506 AND RAPAMYCIN-BINDING PROTEIN | Authors: | Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L. | Deposit date: | 1992-03-05 | Release date: | 1994-01-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin. Science, 252, 1991
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1FKR
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![BU of 1fkr by Molmil](/molmil-images/mine/1fkr) | SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN | Descriptor: | FK506 AND RAPAMYCIN-BINDING PROTEIN | Authors: | Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L. | Deposit date: | 1992-03-05 | Release date: | 1994-01-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin. Science, 252, 1991
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