5JGS
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![BU of 5jgs by Molmil](/molmil-images/mine/5jgs) | Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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1MPZ
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![BU of 1mpz by Molmil](/molmil-images/mine/1mpz) | NMR solution structure of native Viperidae lebetina obtusa protein | Descriptor: | Obtustatin | Authors: | Moreno-Murciano, M.P, Monleon, D, Marcinkiewicz, C, Calvete, J.J, Celda, B. | Deposit date: | 2002-09-13 | Release date: | 2003-02-11 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of the Non-RGD Disintegrin Obtustatin J.Mol.Biol., 329, 2003
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5JIP
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![BU of 5jip by Molmil](/molmil-images/mine/5jip) | Crystal structure of the Clostridium perfringens spore cortex lytic enzyme SleM | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cortical-lytic enzyme, MAGNESIUM ION | Authors: | Chirgadze, D.Y, Christie, G, Ustok, F.I, Al-Riyami, B, Stott, K. | Deposit date: | 2016-04-22 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of Clostridium perfringens SleM, a muramidase involved in cortical hydrolysis during spore germination. Proteins, 84, 2016
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5JA7
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![BU of 5ja7 by Molmil](/molmil-images/mine/5ja7) | Human cathepsin K mutant C25S in complex with the allosteric effector NSC94914 | Descriptor: | ACETATE ION, Cathepsin K, GLYCEROL, ... | Authors: | Novinec, M, Korenc, M, Lenarcic, B. | Deposit date: | 2016-04-12 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | An allosteric site enables fine-tuning of cathepsin K by diverse effectors. FEBS Lett., 590, 2016
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5JAX
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![BU of 5jax by Molmil](/molmil-images/mine/5jax) | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | Descriptor: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | Deposit date: | 2016-04-12 | Release date: | 2017-04-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.486 Å) | Cite: | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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5J5D
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![BU of 5j5d by Molmil](/molmil-images/mine/5j5d) | |
5J62
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![BU of 5j62 by Molmil](/molmil-images/mine/5j62) | FMN-dependent Nitroreductase (CDR20291_0684) from Clostridium difficile R20291 | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Wang, B, Powell, S.M, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B. | Deposit date: | 2016-04-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole. Nitric Oxide, 60, 2016
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1MQX
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![BU of 1mqx by Molmil](/molmil-images/mine/1mqx) | NMR Solution Structure of Type-B Lantibiotics Mersacidin in MeOH/H2O Mixture | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2018-08-08 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
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1MR0
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![BU of 1mr0 by Molmil](/molmil-images/mine/1mr0) | SOLUTION NMR STRUCTURE OF AGRP(87-120; C105A) | Descriptor: | AGOUTI RELATED PROTEIN | Authors: | Jackson, P.J, Mcnulty, J.C, Yang, Y.K, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Millhauser, G.M. | Deposit date: | 2002-09-17 | Release date: | 2002-10-02 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Design, pharmacology, and NMR structure of a minimized cystine knot with agouti-related protein activity. Biochemistry, 41, 2002
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1MZH
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![BU of 1mzh by Molmil](/molmil-images/mine/1mzh) | QR15, an Aldolase | Descriptor: | Deoxyribose-phosphate aldolase, PHOSPHATE ION | Authors: | Tan, A.Y, Smith, P.C, Shen, J, Xiao, R, Acton, T, Rost, B, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-10-07 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Aquifex Aeolicus Aldolase,
Northeast Structural Genomics Consortium Target
QR15 To be Published
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5J6C
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![BU of 5j6c by Molmil](/molmil-images/mine/5j6c) | FMN-dependent Nitroreductase (CDR20291_0767) from Clostridium difficile R20291 | Descriptor: | FLAVIN MONONUCLEOTIDE, IMIDAZOLE, Putative reductase | Authors: | Powell, S.M, Wang, B, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B. | Deposit date: | 2016-04-04 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole. Nitric Oxide, 60, 2016
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5J89
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![BU of 5j89 by Molmil](/molmil-images/mine/5j89) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-07 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). Oncotarget, 7, 2016
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5JCR
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![BU of 5jcr by Molmil](/molmil-images/mine/5jcr) | |
1MU8
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![BU of 1mu8 by Molmil](/molmil-images/mine/1mu8) | thrombin-hirugen_l-378,650 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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5JDV
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![BU of 5jdv by Molmil](/molmil-images/mine/5jdv) | Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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1N10
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![BU of 1n10 by Molmil](/molmil-images/mine/1n10) | Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pollen allergen Phl p 1 | Authors: | Fedorov, A.A, Ball, T, Leistler, B, Valenta, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2002-10-16 | Release date: | 2003-01-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen To be Published
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1N1Q
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![BU of 1n1q by Molmil](/molmil-images/mine/1n1q) | Crystal structure of a Dps protein from Bacillus brevis | Descriptor: | DPS Protein, MU-OXO-DIIRON | Authors: | Ren, B, Tibbelin, G, Kajino, T, Asami, O, Ladenstein, R. | Deposit date: | 2002-10-19 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Multi-layered Structure of Dps with a Novel Di-nuclear Ferroxidase Center J.Mol.Biol., 329, 2003
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1MYR
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![BU of 1myr by Molmil](/molmil-images/mine/1myr) | MYROSINASE FROM SINAPIS ALBA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Burmeister, W.P, Iori, R, Palmieri, S, Henrissat, B. | Deposit date: | 1997-03-23 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The crystal structures of Sinapis alba myrosinase and a covalent glycosyl-enzyme intermediate provide insights into the substrate recognition and active-site machinery of an S-glycosidase. Structure, 5, 1997
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5JHX
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![BU of 5jhx by Molmil](/molmil-images/mine/5jhx) | Crystal Structure of Fungal MagKatG2 at pH 3.0 | Descriptor: | CITRATE ANION, Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gasselhuber, B, Obinger, C, Carpena, X. | Deposit date: | 2016-04-21 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase. Biochemistry, 55, 2016
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1MVR
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![BU of 1mvr by Molmil](/molmil-images/mine/1mvr) | Decoding Center & Peptidyl transferase center from the X-ray structure of the Thermus thermophilus 70S ribosome, aligned to the low resolution Cryo-EM map of E.coli 70S Ribosome | Descriptor: | 30S RIBOSOMAL PROTEIN S12, 50S ribosomal protein L11, Helix 34 of 16S rRNA, ... | Authors: | Rawat, U.B, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12.8 Å) | Cite: | A cryo-electron microscopic study of ribosome-bound termination factor RF2 Nature, 421, 2003
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1N1K
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![BU of 1n1k by Molmil](/molmil-images/mine/1n1k) | NMR Structure for d(CCGCGG)2 | Descriptor: | 5'-D(P*CP*CP*GP*CP*GP*G)-3' | Authors: | Monleon, D, Celda, B. | Deposit date: | 2002-10-18 | Release date: | 2002-10-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR study of hexanucleotide d(CCGCGG)(2) containing two triplet repeats of
fragile X syndrome. Biochem.Biophys.Res.Commun., 303, 2003
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1N41
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![BU of 1n41 by Molmil](/molmil-images/mine/1n41) | Crystal Structure of Annexin V K27E Mutant | Descriptor: | CALCIUM ION, SULFATE ION, annexin V | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid
binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1MVN
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![BU of 1mvn by Molmil](/molmil-images/mine/1mvn) | PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol | Descriptor: | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE, FLAVIN MONONUCLEOTIDE, PPC decarboxylase AtHAL3a | Authors: | Steinbacher, S, Hernandez-Acosta, P, Bieseler, B, Blaesse, M, Huber, R, Culianez-Macia, F.A, Kupke, T. | Deposit date: | 2002-09-26 | Release date: | 2003-03-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of the Plant PPC Decarboxylase AtHAL3a Complexed with an Ene-thiol Reaction Intermediate J.Mol.Biol., 327, 2003
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5JEH
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![BU of 5jeh by Molmil](/molmil-images/mine/5jeh) | Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JHY
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![BU of 5jhy by Molmil](/molmil-images/mine/5jhy) | |