7SQE
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![BU of 7sqe by Molmil](/molmil-images/mine/7sqe) | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-05 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor To be Published
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6AZN
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![BU of 6azn by Molmil](/molmil-images/mine/6azn) | Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841 | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Putative amidase | Authors: | Peat, T.S, Esquirol, L, Newman, J, Scott, C. | Deposit date: | 2017-09-11 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841. PLoS ONE, 13, 2018
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1ASZ
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![BU of 1asz by Molmil](/molmil-images/mine/1asz) | THE ACTIVE SITE OF YEAST ASPARTYL-TRNA SYNTHETASE: STRUCTURAL AND FUNCTIONAL ASPECTS OF THE AMINOACYLATION REACTION | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | Authors: | Cavarelli, J, Rees, B, Thierry, J.C, Moras, D. | Deposit date: | 1995-01-19 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J., 13, 1994
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4EEE
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![BU of 4eee by Molmil](/molmil-images/mine/4eee) | |
1IZE
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![BU of 1ize by Molmil](/molmil-images/mine/1ize) | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution. J.Mol.Biol., 326, 2003
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1BYG
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![BU of 1byg by Molmil](/molmil-images/mine/1byg) | KINASE DOMAIN OF HUMAN C-TERMINAL SRC KINASE (CSK) IN COMPLEX WITH INHIBITOR STAUROSPORINE | Descriptor: | PROTEIN (C-TERMINAL SRC KINASE), STAUROSPORINE | Authors: | Antson, A.A, Lamers, M.B.A.C, Scott, R.K, Williams, D.H, Hubbard, R.E. | Deposit date: | 1998-10-14 | Release date: | 1999-10-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the protein tyrosine kinase domain of C-terminal Src kinase (CSK) in complex with staurosporine. J.Mol.Biol., 285, 1999
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7T7N
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![BU of 7t7n by Molmil](/molmil-images/mine/7t7n) | Structure of SPCC1393.13 protein from fission yeast | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
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7T7O
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7T7K
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![BU of 7t7k by Molmil](/molmil-images/mine/7t7k) | Structure of SPAC806.04c protein from fission yeast bound to Co2+ | Descriptor: | CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ... | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
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6AZQ
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![BU of 6azq by Molmil](/molmil-images/mine/6azq) | Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841 | Descriptor: | CALCIUM ION, Putative amidase, dicarbonimidic diamide | Authors: | Peat, T.S, Esquirol, L, Newman, J, Scott, C. | Deposit date: | 2017-09-11 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841. PLoS ONE, 13, 2018
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1IZD
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![BU of 1izd by Molmil](/molmil-images/mine/1izd) | Crystal structure of Aspergillus oryzae Aspartic Proteinase | Descriptor: | Aspartic proteinase, alpha-D-mannopyranose | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Aspergillus oryzae Aspartic Proteinase and its Complex with an Inhibitor Pepstatin at 1.9 A Resolution J.Mol.Biol., 326, 2003
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3FAN
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![BU of 3fan by Molmil](/molmil-images/mine/3fan) | Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (PRRSV) | Descriptor: | Non-structural protein, PHOSPHATE ION | Authors: | Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F. | Deposit date: | 2008-11-17 | Release date: | 2009-09-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV). J.Mol.Biol., 392, 2009
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2C88
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![BU of 2c88 by Molmil](/molmil-images/mine/2c88) | Crystal Structure Of (SR) Calcium-ATPase E2(Tg):AMPPCP form | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2005-12-02 | Release date: | 2006-06-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump Embo J., 25, 2006
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2C8L
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![BU of 2c8l by Molmil](/molmil-images/mine/2c8l) | Crystal Structure of (SR) Calcium-ATPase E2(Tg) form | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2005-12-06 | Release date: | 2006-06-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump Embo J., 25, 2006
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2C8K
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![BU of 2c8k by Molmil](/molmil-images/mine/2c8k) | Crystal Structure of (SR) Calcium-ATPase E2(Tg) with partially occupied AMPPCP site | Descriptor: | ARCOPLASMIC/ENDOPLASMIC RETICULUM CALCIUM ATPASE 1, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2005-12-06 | Release date: | 2006-06-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump Embo J., 25, 2006
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3FPZ
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![BU of 3fpz by Molmil](/molmil-images/mine/3fpz) | Saccharomyces cerevisiae THI4p is a suicide thiamin thiazole synthase | Descriptor: | ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID, SULFATE ION, Thiazole biosynthetic enzyme | Authors: | Bale, S, Chatterjee, A, Dorrestein, P.C, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-01-06 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Saccharomyces cerevisiae THI4p is a suicide thiamine thiazole synthase. Nature, 478, 2011
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3FAO
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![BU of 3fao by Molmil](/molmil-images/mine/3fao) | Crystal structure of S118A mutant 3CLSP of PRRSV | Descriptor: | Non-structural protein, PHOSPHATE ION | Authors: | Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F. | Deposit date: | 2008-11-17 | Release date: | 2009-10-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV). J.Mol.Biol., 392, 2009
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1KQP
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![BU of 1kqp by Molmil](/molmil-images/mine/1kqp) | NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ... | Authors: | Symersky, J, Devedjiev, Y, Moore, K, Brouillette, C, DeLucas, L. | Deposit date: | 2002-01-07 | Release date: | 2002-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | NH3-dependent NAD+ synthetase from Bacillus subtilis at 1 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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4DKP
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![BU of 4dkp by Molmil](/molmil-images/mine/4dkp) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7978 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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4CN1
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![BU of 4cn1 by Molmil](/molmil-images/mine/4cn1) | GlgE isoform 1 from Streptomyces coelicolor D394A mutant with maltose- 1-phosphate bound | Descriptor: | ALPHA-1,4-GLUCAN: MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-1-O-phosphono-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S. | Deposit date: | 2014-01-21 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate. Biochemistry, 53, 2014
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4CN4
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![BU of 4cn4 by Molmil](/molmil-images/mine/4cn4) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant with 2-deoxy- 2-fluoro-beta-maltosyl modification | Descriptor: | ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-beta-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S. | Deposit date: | 2014-01-21 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate. Biochemistry, 53, 2014
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6C8Y
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![BU of 6c8y by Molmil](/molmil-images/mine/6c8y) | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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2C9M
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![BU of 2c9m by Molmil](/molmil-images/mine/2c9m) | Structure of (SR) Calcium-ATPase in the Ca2E1 state solved in a P1 crystal form. | Descriptor: | CALCIUM ION, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Lund Jensen, A.-M, Sorensen, T.L.-M, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2005-12-13 | Release date: | 2006-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump Embo J., 25, 2006
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4CN6
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![BU of 4cn6 by Molmil](/molmil-images/mine/4cn6) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant with maltose bound | Descriptor: | ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S. | Deposit date: | 2014-01-21 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate. Biochemistry, 53, 2014
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6CTA
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![BU of 6cta by Molmil](/molmil-images/mine/6cta) | Structure of the human cGAS-DNA complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), ... | Authors: | Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-03-22 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.779 Å) | Cite: | Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance. Cell, 174, 2018
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