4L3O
 
 | | Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2013-06-06 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.518 Å) | | Cite: | Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change
Structure, 22, 2013
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1M1B
 | | Crystal Structure of Phosphoenolpyruvate Mutase Complexed with Sulfopyruvate | | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE PHOSPHOMUTASE, SULFOPYRUVATE | | Authors: | Liu, S, Lu, Z, Jia, Y, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2002-06-18 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Dissociative phosphoryl transfer in PEP mutase catalysis: structure of the enzyme/sulfopyruvate complex and kinetic properties of mutants.
Biochemistry, 41, 2002
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1M1N
 | | Nitrogenase MoFe protein from Azotobacter vinelandii | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ... | | Authors: | Einsle, O, Tezcan, F.A, Andrade, S.L.A, Schmid, B, Yoshida, M, Howard, J.B, Rees, D.C. | | Deposit date: | 2002-06-19 | | Release date: | 2002-09-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Nitrogenase MoFe-protein at 1.16 A resolution: a central ligand in the FeMo-cofactor.
Science, 297, 2002
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4KZA
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | | Descriptor: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ7
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) | | Descriptor: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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1M32
 | | Crystal Structure of 2-aminoethylphosphonate Transaminase | | Descriptor: | 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ... | | Authors: | Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O. | | Deposit date: | 2002-06-26 | | Release date: | 2002-11-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
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4L7D
 | | Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | | Descriptor: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | | Deposit date: | 2013-06-13 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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4KWA
 | | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with choline | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHOLINE ION, ... | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-23 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with choline
To be Published
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4KYR
 | | Structure of a product bound plant phosphatase | | Descriptor: | PHOSPHATE ION, Phosphoglucan phosphatase LSF2, chloroplastic, ... | | Authors: | Meekins, D.A, Guo, H.-F, Husodo, S, Paasch, B.C, Bridges, T.M, Santelia, D, Kotting, O, Vander Kooi, C.W, Gentry, M.S. | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis Glucan Phosphatase LIKE SEX FOUR2 Reveals a Unique Mechanism for Starch Dephosphorylation.
Plant Cell, 25, 2013
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4KZ9
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | | Descriptor: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KYQ
 | | Structure of a product bound plant phosphatase | | Descriptor: | CITRATE ANION, Phosphoglucan phosphatase LSF2, chloroplastic | | Authors: | Meekins, D.A, Guo, H.-F, Husodo, S, Paasch, B.C, Bridges, T.M, Santelia, D, Kotting, O, Vander Kooi, C.W, Gentry, M.S. | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure of the Arabidopsis Glucan Phosphatase LIKE SEX FOUR2 Reveals a Unique Mechanism for Starch Dephosphorylation.
Plant Cell, 25, 2013
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4L1J
 | | Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, O, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.824 Å) | | Cite: | Three dimensional structure of mutant D143A of human HD
domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723
To be Published
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1MIT
 | | RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE) | | Descriptor: | TRYPSIN INHIBITOR V | | Authors: | Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R. | | Deposit date: | 1995-10-26 | | Release date: | 1996-04-03 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy.
Biochemistry, 35, 1996
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1MN8
 | | Structure of Moloney Murine Leukaemia Virus Matrix Protein | | Descriptor: | Core protein p15 | | Authors: | Riffel, N, Harlos, K, Iourin, O, Rao, Z, Kingsman, A, Stuart, D, Fry, E. | | Deposit date: | 2002-09-05 | | Release date: | 2003-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution structure of Moloney murine leukaemia virus matrix protein and its relationship to other retroviral matrix proteins.
Structure, 10, 2002
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1MPT
 | | CRYSTAL STRUCTURE OF A NEW ALKALINE SERINE PROTEASE (M-PROTEASE) FROM BACILLUS SP. KSM-K16 | | Descriptor: | CALCIUM ION, M-PROTEASE | | Authors: | Yamane, T, Kani, T, Hatanaka, T, Suzuki, A, Ashida, T, Kobayashi, T, Ito, S, Yamashita, O. | | Deposit date: | 1994-04-13 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a new alkaline serine protease (M-protease) from Bacillus sp. KSM-K16.
Acta Crystallogr.,Sect.D, 51, 1995
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4KZ5
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | | Descriptor: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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2BVA
 | | Crystal structure of the human P21-activated kinase 4 | | Descriptor: | P21-ACTIVATED KINASE 4 | | Authors: | Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2005-06-23 | | Release date: | 2005-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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2C0C
 | | Structure of the MGC45594 gene product | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC BINDING ALCOHOL DEHYDROGENASE, DOMAIN CONTAINING 2 | | Authors: | Bunkoczi, G, Shafqat, N, Guo, K, Smee, C, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Gileadi, O, von Delft, F, Oppermann, U. | | Deposit date: | 2005-08-30 | | Release date: | 2005-09-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Structure of Mgc45594 Gene Product
To be Published
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4IKZ
 | | Crystal structure of peptide transporter POT (E310Q mutant) in complex with alafosfalin | | Descriptor: | Di-tripeptide ABC transporter (Permease), N-[(1R)-1-phosphonoethyl]-L-alaninamide, SULFATE ION | | Authors: | Doki, S, Kato, H.E, Ishitani, R, Nureki, O. | | Deposit date: | 2012-12-28 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2AMN
 | | Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken | | Descriptor: | cathelicidin | | Authors: | Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G. | | Deposit date: | 2005-08-09 | | Release date: | 2006-07-18 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
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4IKF
 | | PFV intasome with inhibitor MB-76 | | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ... | | Authors: | Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V. | | Deposit date: | 2012-12-26 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | 2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance.
Acs Chem.Biol., 8, 2013
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1NQJ
 | | CRYSTAL STRUCTURE OF CLOSTRIDIUM HISTOLYTICUM COLG COLLAGENASE COLLAGEN-BINDING DOMAIN 3B AT 1.0 ANGSTROM RESOLUTION IN ABSENCE OF CALCIUM | | Descriptor: | CHLORIDE ION, LITHIUM ION, class 1 collagenase | | Authors: | Wilson, J.J, Matsushita, O, Okabe, A, Sakon, J. | | Deposit date: | 2003-01-21 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A bacterial collagen-binding domain with novel calcium-binding motif
controls domain orientation
Embo J., 22, 2003
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2BLE
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, SODIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Oppermann, U, Arrowsmith, C, Sundstrom, M, Edwards, A, Gileadi, O. | | Deposit date: | 2005-03-03 | | Release date: | 2005-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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4ICH
 | | Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017 | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-12-10 | | Release date: | 2013-01-02 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017
To be Published
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1NVI
 | | Orthorhombic Crystal Form of Molybdopterin Synthase | | Descriptor: | GLYCEROL, Molybdopterin converting factor subunit 1, Molybdopterin converting factor subunit 2, ... | | Authors: | Rudolph, M.J, Wuebbens, M.M, Turque, O, Rajagopalan, K.V, Schindelin, H. | | Deposit date: | 2003-02-03 | | Release date: | 2003-05-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Studies of Molybdopterin Synthase Provide Insights into its Catalytic Mechanism
J.Biol.Chem., 278, 2003
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