1YDT
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![BU of 1ydt by Molmil](/molmil-images/mine/1ydt) | STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE | Descriptor: | C-AMP-DEPENDENT PROTEIN KINASE, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE | Authors: | Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | Deposit date: | 1996-07-24 | Release date: | 1997-04-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity. J.Biol.Chem., 271, 1996
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1QXQ
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1IGY
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![BU of 1igy by Molmil](/molmil-images/mine/1igy) | STRUCTURE OF IMMUNOGLOBULIN | Descriptor: | IGG1 INTACT ANTIBODY MAB61.1.3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Harris, L.J, McPherson, A. | Deposit date: | 1997-10-09 | Release date: | 1998-04-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic structure of an intact IgG1 monoclonal antibody. J.Mol.Biol., 275, 1998
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1QNX
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![BU of 1qnx by Molmil](/molmil-images/mine/1qnx) | Ves v 5, an allergen from Vespula vulgaris venom | Descriptor: | SODIUM ION, VES V 5 | Authors: | Henriksen, A, Gajhede, M, Spangfort, M.D. | Deposit date: | 1999-10-25 | Release date: | 2000-10-26 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Major Venom Allergen of Yellow Jackets, Ves V 5: Structural Characterization of a Pathogenesis-Related Protein Superfamily. Proteins: Struct.,Funct., Genet., 45, 2001
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1ISY
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![BU of 1isy by Molmil](/molmil-images/mine/1isy) | Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with glucose | Descriptor: | beta-D-glucopyranose, endo-1,4-beta-D-xylanase | Authors: | Fujimoto, Z, Kuno, A, Kaneko, S, Kobayashi, H, Kusakabe, I, Mizuno, H. | Deposit date: | 2001-12-27 | Release date: | 2002-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the sugar complexes of Streptomyces olivaceoviridis E-86 xylanase: sugar binding structure of the family 13 carbohydrate binding module. J.Mol.Biol., 316, 2002
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1OAP
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![BU of 1oap by Molmil](/molmil-images/mine/1oap) | Mad structure of the periplasmique domain of the Escherichia coli PAL protein | Descriptor: | PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, SULFATE ION | Authors: | Abergel, C, Walburger, A, Bouveret, E, Claverie, J.M. | Deposit date: | 2003-01-20 | Release date: | 2004-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallization and preliminary crystallographic study of the peptidoglycan-associated lipoprotein from Escherichia coli. Acta Crystallogr.,Sect.D, 57, 2001
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1NP1
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1NNP
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![BU of 1nnp by Molmil](/molmil-images/mine/1nnp) | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.9 A resolution. Crystallization without zinc ions. | Descriptor: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, Glutamate receptor 2, SULFATE ION | Authors: | Lunn, M.L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2003-01-14 | Release date: | 2003-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of the Ligand-Binding
Core of GluR2 in Complex with the Agonist (S)-ATPA:
Implications for Receptor Subunit Selectivity. J.Med.Chem., 46, 2003
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1O91
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![BU of 1o91 by Molmil](/molmil-images/mine/1o91) | Crystal Structure of a Collagen VIII NC1 Domain Trimer | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, COLLAGEN ALPHA 1(VIII) CHAIN, SULFATE ION | Authors: | Kvansakul, M, Bogin, O, Hohenester, E, Yayon, A. | Deposit date: | 2002-12-10 | Release date: | 2003-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Collagen Alpha1(Viii) Nc1 Trimer. Matrix Biol., 22, 2003
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1PUO
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![BU of 1puo by Molmil](/molmil-images/mine/1puo) | Crystal structure of Fel d 1- the major cat allergen | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Major allergen I polypeptide, fused chain 2, ... | Authors: | Kaiser, L, Gronlund, H, Sandalova, T, Ljunggren, H.G, van Hage-Hamsten, M, Achour, A, Schneider, G. | Deposit date: | 2003-06-25 | Release date: | 2003-10-14 | Last modified: | 2019-07-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structure of the major cat allergen Fel d 1, a member of the secretoglobin family. J.Biol.Chem., 278, 2003
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1LU0
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![BU of 1lu0 by Molmil](/molmil-images/mine/1lu0) | Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Thaimattam, R, Tykarska, E, Bierzynski, A, Sheldrick, G.M, Jaskolski, M. | Deposit date: | 2002-05-21 | Release date: | 2002-08-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination. Acta Crystallogr.,Sect.D, 58, 2002
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5VLM
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![BU of 5vlm by Molmil](/molmil-images/mine/5vlm) | Crystal structure of EilR in complex with crystal violet | Descriptor: | CRYSTAL VIOLET, Regulatory protein TetR | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | Deposit date: | 2017-04-25 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.403 Å) | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control. Nat Commun, 9, 2018
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1PR9
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![BU of 1pr9 by Molmil](/molmil-images/mine/1pr9) | Human L-Xylulose Reductase Holoenzyme | Descriptor: | DIHYDROGENPHOSPHATE ION, L-XYLULOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El-Kabbani, O, Ishikura, S, Darmanin, C, Carbone, V, Chung, R.P.-T, Usami, N, Hara, A. | Deposit date: | 2003-06-20 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of human L-xylulose reductase holoenzyme: probing the role of Asn107 with site-directed mutagenesis Proteins, 55, 2004
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2A4Q
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![BU of 2a4q by Molmil](/molmil-images/mine/2a4q) | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease Bioorg.Med.Chem.Lett., 15, 2005
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2PDG
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![BU of 2pdg by Molmil](/molmil-images/mine/2pdg) | Human aldose reductase with uracil-type inhibitor at 1.42A. | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-03-31 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PD5
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![BU of 2pd5 by Molmil](/molmil-images/mine/2pd5) | Human aldose reductase mutant V47I complexed with zopolrestat | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-03-31 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDC
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![BU of 2pdc by Molmil](/molmil-images/mine/2pdc) | Human aldose reductase mutant F121P complexed with IDD393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-03-31 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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5VTA
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![BU of 5vta by Molmil](/molmil-images/mine/5vta) | Co-Crystal Structure of DPPIV with a Chemibody Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide, ... | Authors: | Wang, Z, Johnstone, S, Cheng, A. | Deposit date: | 2017-05-16 | Release date: | 2018-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Discovery of Dual-recognition Chemibodies. Sci Rep, 8, 2018
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2PDK
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![BU of 2pdk by Molmil](/molmil-images/mine/2pdk) | Human aldose reductase mutant L301M complexed with sorbinil. | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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3GZC
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![BU of 3gzc by Molmil](/molmil-images/mine/3gzc) | Structure of human selenocysteine lyase | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Selenocysteine lyase | Authors: | Collins, R, Hogbom, M, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-07 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical discrimination between selenium and sulfur 1: a single residue provides selenium specificity to human selenocysteine lyase. Plos One, 7, 2012
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1MA9
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![BU of 1ma9 by Molmil](/molmil-images/mine/1ma9) | Crystal structure of the complex of human vitamin D binding protein and rabbit muscle actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Alpha Skeletal Muscle, ... | Authors: | Verboven, C, Bogaerts, I, Waelkens, E, Rabijns, A, Van Baelen, H, Bouillon, R, De Ranter, C. | Deposit date: | 2002-08-02 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Actin-DBP: the perfect structural fit? Acta Crystallogr.,Sect.D, 59, 2003
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1MAV
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![BU of 1mav by Molmil](/molmil-images/mine/1mav) | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 6.0 IN COMPLEX WITH MN2+ | Descriptor: | MANGANESE (II) ION, cell division response regulator DivK | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | Deposit date: | 2002-08-02 | Release date: | 2002-12-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic and Biochemical Studies of DivK Reveal Novel Features of
an Essential Response Regulator in Caulobacter crescentus. J.Biol.Chem., 277, 2002
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3GK6
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![BU of 3gk6 by Molmil](/molmil-images/mine/3gk6) | Crystal structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS2. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Integron cassette protein VCH_CASS2 | Authors: | Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A.M, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-03-10 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module. Plos One, 6, 2011
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2PDJ
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![BU of 2pdj by Molmil](/molmil-images/mine/2pdj) | Human aldose reductase mutant L300A complexed with IDD393. | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDW
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![BU of 2pdw by Molmil](/molmil-images/mine/2pdw) | Human aldose reductase mutant C303D complexed with fidarestat. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2007-04-01 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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