4GVV
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![BU of 4gvv by Molmil](/molmil-images/mine/4gvv) | Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural Genomics Consortium (NESG) Target OR246 | Descriptor: | De novo design serine hydrolase | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-31 | Release date: | 2012-09-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Northeast Structural Genomics Consortium Target OR246 To be Published
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7VQV
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![BU of 7vqv by Molmil](/molmil-images/mine/7vqv) | de novo design based on 1r26 | Descriptor: | GLYCEROL, de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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4QKR
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![BU of 4qkr by Molmil](/molmil-images/mine/4qkr) | |
3S0R
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![BU of 3s0r by Molmil](/molmil-images/mine/3s0r) | |
5I34
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![BU of 5i34 by Molmil](/molmil-images/mine/5i34) | Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP | Descriptor: | Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | Deposit date: | 2016-02-09 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans. Acs Infect Dis., 2, 2016
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5I33
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![BU of 5i33 by Molmil](/molmil-images/mine/5i33) | Unligated adenylosuccinate synthetase from Cryptococcus neoformans | Descriptor: | Adenylosuccinate synthetase | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | Deposit date: | 2016-02-09 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans. Acs Infect Dis., 2, 2016
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1NVO
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![BU of 1nvo by Molmil](/molmil-images/mine/1nvo) | Solution structure of a four-helix bundle model, apo-DF1 | Descriptor: | Homodimeric Alpha2 Four-Helix Bundle | Authors: | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | Deposit date: | 2003-02-04 | Release date: | 2003-03-25 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Preorganization of molecular binding sites in designed diiron proteins Proc.Natl.Acad.Sci.USA, 100, 2003
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3U1V
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![BU of 3u1v by Molmil](/molmil-images/mine/3u1v) | X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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4EF9
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![BU of 4ef9 by Molmil](/molmil-images/mine/4ef9) | Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 4-Nitrophenyl isothiocyanate | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Pinheiro, M.P, Emery, F.S, Nonato, M.C. | Deposit date: | 2012-03-29 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase. Curr.Pharm.Des., 19, 2013
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4EF8
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![BU of 4ef8 by Molmil](/molmil-images/mine/4ef8) | Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with Phenyl isothiocyanate | Descriptor: | Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Pinheiro, M.P, Emery, F.S, Nonato, M.C. | Deposit date: | 2012-03-29 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Target sites for the design of anti-trypanosomatid drugs based on the structure of dihydroorotate dehydrogenase. Curr.Pharm.Des., 19, 2013
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2LQ1
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![BU of 2lq1 by Molmil](/molmil-images/mine/2lq1) | Solution structure of de novo designed antifreeze peptide 3 | Descriptor: | de novo designed antifreeze peptide 3 | Authors: | Bhunia, A. | Deposit date: | 2012-02-21 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structures, dynamics, and ice growth inhibitory activity of Peptide fragments derived from an antarctic yeast protein Plos One, 7, 2012
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2LQ0
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![BU of 2lq0 by Molmil](/molmil-images/mine/2lq0) | Solution structure of de novo designed antifreeze peptide 1m | Descriptor: | de novo designed antifreeze peptide 1m | Authors: | Bhunia, A. | Deposit date: | 2012-02-21 | Release date: | 2012-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures, dynamics, and ice growth inhibitory activity of Peptide fragments derived from an antarctic yeast protein Plos One, 7, 2012
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2LQ2
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![BU of 2lq2 by Molmil](/molmil-images/mine/2lq2) | Solution structure of de novo designed peptide 4m | Descriptor: | de novo designed antifreeze peptide 4m | Authors: | Bhunia, A. | Deposit date: | 2012-02-22 | Release date: | 2012-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures, dynamics, and ice growth inhibitory activity of Peptide fragments derived from an antarctic yeast protein Plos One, 7, 2012
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4ETK
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![BU of 4etk by Molmil](/molmil-images/mine/4etk) | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | Descriptor: | De novo designed serine hydrolase, SODIUM ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4E88
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![BU of 4e88 by Molmil](/molmil-images/mine/4e88) | CRYSTAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, GLYCEROL | Authors: | Kuzin, A, Su, M, Seetharaman, J, Xiao, X, Sahdev, S, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-03-19 | Release date: | 2012-04-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Northeast Structural Genomics Consortium Target OR51 To be Published
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3UAK
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![BU of 3uak by Molmil](/molmil-images/mine/3uak) | Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54 | Descriptor: | De Novo designed cysteine esterase ECH14 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-21 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.232 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1O
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![BU of 3u1o by Molmil](/molmil-images/mine/3u1o) | THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION | Authors: | Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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5DOT
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![BU of 5dot by Molmil](/molmil-images/mine/5dot) | Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), apo form | Descriptor: | 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], mitochondrial, ... | Authors: | Polo, L.M, de Cima, S, Fita, I, Rubio, V. | Deposit date: | 2015-09-11 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis. Sci Rep, 5, 2015
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7OCM
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![BU of 7ocm by Molmil](/molmil-images/mine/7ocm) | K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain | Authors: | de Jonge, H, de Nola, G, Gherardi, E. | Deposit date: | 2021-04-27 | Release date: | 2021-07-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist. Life Sci Alliance, 5, 2022
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4GN0
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![BU of 4gn0 by Molmil](/molmil-images/mine/4gn0) | De novo phasing of a Hamp-complex using an improved Arcimboldo method | Descriptor: | Hamp domain of AF1503, MAGNESIUM ION | Authors: | Hulko, M, Ursinus, A, Bar, K, Martin, J, Zeth, K, Lupas, A.N. | Deposit date: | 2012-08-16 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploiting tertiary structure through local folds for crystallographic phasing. Nat.Methods, 10, 2013
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5T9N
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![BU of 5t9n by Molmil](/molmil-images/mine/5t9n) | Structure of rabbit RyR1 (Ca2+-only dataset, class 2) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-09 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TAZ
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![BU of 5taz by Molmil](/molmil-images/mine/5taz) | Structure of rabbit RyR1 (ryanodine dataset, class 3) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TAV
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![BU of 5tav by Molmil](/molmil-images/mine/5tav) | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 4) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TAW
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![BU of 5taw by Molmil](/molmil-images/mine/5taw) | Structure of rabbit RyR1 (ryanodine dataset, all particles) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TAM
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![BU of 5tam by Molmil](/molmil-images/mine/5tam) | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 4) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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