5DE1
| Crystal structure of human IDH1 in complex with GSK321A | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Concha, N.O, Smallwood, A, Qi, H. | Deposit date: | 2015-08-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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6Z5V
| CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3-KETODECANOYL-COA IN CROTONASE FOLD AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE IN HAD FOLD | Descriptor: | 3-KETO-DECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | Deposit date: | 2020-05-27 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites. Acta Crystallogr D Struct Biol, 76, 2020
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6DLL
| 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase from Pseudomonas putida in Complex with FAD. | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-01 | Release date: | 2018-06-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural comparison of p-hydroxybenzoate hydroxylase (PobA) from Pseudomonas putida with PobA from other Pseudomonas spp. and other monooxygenases. Acta Crystallogr.,Sect.F, 75, 2019
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5D5A
| In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4826 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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3HCG
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3H7D
| The crystal structure of the cathepsin K Variant M5 in complex with chondroitin-4-sulfate | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ... | Authors: | Cherney, M.M, Kienetz, M, Bromme, D, James, M.N.G. | Deposit date: | 2009-04-24 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.242 Å) | Cite: | Structure-activity analysis of cathepsin K/chondroitin 4-sulfate interactions. J.Biol.Chem., 286, 2011
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2XYR
| Crystal structure of the nsp16 nsp10 SARS coronavirus complex | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | Authors: | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | Deposit date: | 2010-11-18 | Release date: | 2011-10-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex. Plos Pathog., 7, 2011
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6ZCW
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2FUG
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6Z9R
| Transcription termination intermediate complex 3 | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Said, N, Hilal, T, Loll, B, Wahl, M.C. | Deposit date: | 2020-06-04 | Release date: | 2020-11-04 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho. Science, 371, 2021
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2XQQ
| Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide (Ac-SRGTQTE). | Descriptor: | ACETATE ION, DYNEIN LIGHT CHAIN 2, CYTOPLASMIC, ... | Authors: | Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G. | Deposit date: | 2010-09-07 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Directed Evolution Reveals the Binding Motif Preference of the Lc8/Dynll Hub Protein and Predicts Large Numbers of Novel Binders in the Human Proteome Plos One, 6, 2011
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2FZB
| Human Aldose Reductase complexed with four tolrestat molecules at 1.5 A resolution. | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | Deposit date: | 2006-02-09 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions. J.Mol.Biol., 363, 2006
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2FZ8
| Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | Deposit date: | 2006-02-09 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions. J.Mol.Biol., 363, 2006
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6DHP
| RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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2Y1T
| Bacillus subtilis prophage dUTPase in complex with dUDP | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE YOSS | Authors: | Garcia-Nafria, J, Harkiolaki, M, Persson, R, Fogg, M.J, Wilson, K.S. | Deposit date: | 2010-12-10 | Release date: | 2011-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Structure of Bacillus Subtilis Sp Beta Prophage Dutpase and its Complexes with Two Nucleotides Acta Crystallogr.,Sect.D, 67, 2011
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2XSR
| Crystal structure of wild type Acinetobacter radioresistens catechol 1,2 dioxygenase | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, CATECHOL 1,2 DIOXYGENASE, FE (III) ION | Authors: | Micalella, C, Martignon, S, Bruno, S, Rizzi, M. | Deposit date: | 2010-09-30 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase. Biochim.Biophys.Acta, 1814, 2011
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2XC1
| Full-length Tailspike Protein Mutant Y108W of Bacteriophage P22 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, ... | Authors: | Mueller, J.J, Seul, A, Seckler, R, Heinemann, U. | Deposit date: | 2010-04-15 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bacteriophage P22 Tailspike: Structure of the Complete Protein and Function of the Interdomain Linker Acta Crystallogr.,Sect.D, 70, 2014
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3GMV
| Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Apo Form | Descriptor: | Beta-lactamase inhibitory protein BLIP-I, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Lim, D.C, Gretes, M, Strynadka, N.C.J. | Deposit date: | 2009-03-15 | Release date: | 2009-03-31 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
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6ZCV
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6DLM
| DHD127 | Descriptor: | DHD127_A, DHD127_B | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-06-01 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.753 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
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4GBC
| Crystal structure of aspart insulin at pH 6.5 | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | Deposit date: | 2012-07-27 | Release date: | 2013-06-12 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (1.778 Å) | Cite: | A T3R3 hexamer of the human insulin variant B28Asp. Biophys.Chem., 173, 2013
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6ZDM
| Crystal structure of human heparanase in complex with a N',6O'-bis-sulfated 4-methylumbelliferyl heparan sulfate disaccharide | Descriptor: | (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2020-06-14 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.714 Å) | Cite: | Structural insights into heparanase activity using a fluorogenic heparan sulfate disaccharide. Chem.Commun.(Camb.), 56, 2020
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3HB7
| The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A | Descriptor: | AMMONIUM ION, Isochorismatase hydrolase, SODIUM ION | Authors: | Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-05-04 | Release date: | 2009-07-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A To be Published
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6ZKI
| Complex I with NADH, open2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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4GBK
| Crystal structure of aspart insulin at pH 8.5 | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | Deposit date: | 2012-07-27 | Release date: | 2013-06-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A T3R3 hexamer of the human insulin variant B28Asp. Biophys.Chem., 173, 2013
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