2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VSE
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![BU of 2vse by Molmil](/molmil-images/mine/2vse) | Structure and mode of action of a mosquitocidal holotoxin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MOSQUITOCIDAL TOXIN | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | Deposit date: | 2008-04-22 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin. J.Mol.Biol., 381, 2008
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2VXL
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![BU of 2vxl by Molmil](/molmil-images/mine/2vxl) | Screening a Limited Structure-based Library Identifies UDP-GalNAc- Specific Mutants of alpha-1,3 Galactosyltransferase | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Acharya, K.R, Brew, K. | Deposit date: | 2008-07-07 | Release date: | 2008-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Screening a Limited Structure-Based Library Identifies Udp-Galnac-Specific Mutants of {Alpha}-1,3-Galactosyltransferase. Glycobiology, 18, 2008
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1JOV
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![BU of 1jov by Molmil](/molmil-images/mine/1jov) | Crystal Structure Analysis of HI1317 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HI1317, SULFATE ION | Authors: | Bonander, N, Tordova, M, Howard, A.J, Eisenstein, E, Gilliland, G, Structure 2 Function Project (S2F) | Deposit date: | 2001-07-31 | Release date: | 2003-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal 1.57-A Crystal Structure of HI1317 TO BE PUBLISHED
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2VWN
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![BU of 2vwn by Molmil](/molmil-images/mine/2vwn) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VPH
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![BU of 2vph by Molmil](/molmil-images/mine/2vph) | Crystal structure of the human protein tyrosine phosphatase, non- receptor type 4, PDZ domain | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 4 | Authors: | Roos, A.K, Wang, J, Burgess-Brown, N, Elkins, J.M, Kavanagh, K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Bountra, C, Knapp, S. | Deposit date: | 2008-02-29 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Protein Tyrosine Phosphatase, Non-Receptor Type 4, Pdz Domain To be Published
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1HVS
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![BU of 1hvs by Molmil](/molmil-images/mine/1hvs) | STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. | Deposit date: | 1994-11-17 | Release date: | 1995-02-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase. Nat.Struct.Biol., 2, 1995
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1J0S
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![BU of 1j0s by Molmil](/molmil-images/mine/1j0s) | Solution structure of the human interleukin-18 | Descriptor: | Interleukin-18 | Authors: | Kato, Z, Jee, J, Shikano, H, Mishima, M, Ohki, I, Yoneda, T, Hara, T, Torigoe, K, Kondo, N, Shirakawa, M. | Deposit date: | 2002-11-21 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The structure and binding mode of interleukin-18 Nat.Struct.Biol., 10, 2003
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1J5D
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![BU of 1j5d by Molmil](/molmil-images/mine/1j5d) | SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803-MINIMIZED AVERAGE STRUCTURE | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J. | Deposit date: | 2002-04-02 | Release date: | 2002-04-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803. J.Am.Chem.Soc., 123, 2001
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1IR2
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![BU of 1ir2 by Molmil](/molmil-images/mine/1ir2) | Crystal Structure of Activated Ribulose-1,5-bisphosphate Carboxylase/oxygenase (Rubisco) from Green alga, Chlamydomonas reinhardtii Complexed with 2-Carboxyarabinitol-1,5-bisphosphate (2-CABP) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, Large subunit of Rubisco, ... | Authors: | Mizohata, E, Matsumura, H, Okano, Y, Kumei, M, Takuma, H, Onodera, J, Kato, K, Shibata, N, Inoue, T, Yokota, A, Kai, Y. | Deposit date: | 2001-09-03 | Release date: | 2002-03-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of activated ribulose-1,5-bisphosphate carboxylase/oxygenase from green alga Chlamydomonas reinhardtii complexed with 2-carboxyarabinitol-1,5-bisphosphate. J.Mol.Biol., 316, 2002
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1JXJ
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![BU of 1jxj by Molmil](/molmil-images/mine/1jxj) | Role of mobile loop in the mechanism of human salivary amylase | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M. | Deposit date: | 2001-09-07 | Release date: | 2001-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity. Eur.J.Biochem., 271, 2004
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1K2F
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![BU of 1k2f by Molmil](/molmil-images/mine/1k2f) | siah, Seven In Absentia Homolog | Descriptor: | BETA-MERCAPTOETHANOL, ZINC ION, siah-1A protein | Authors: | Polekhina, G, House, C.M, Traficante, N, Mackay, J.P, Relaix, F, Sassoon, D.A, Parker, M.W, Bowtell, D.D.L. | Deposit date: | 2001-09-26 | Release date: | 2001-12-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Siah ubiquitin ligase is structurally related to TRAF and modulates TNF-alpha signaling. Nat.Struct.Biol., 9, 2002
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1JJT
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![BU of 1jjt by Molmil](/molmil-images/mine/1jjt) | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1) | Descriptor: | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ... | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2001-07-09 | Release date: | 2001-07-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase. J.Biol.Chem., 276, 2001
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1JNN
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![BU of 1jnn by Molmil](/molmil-images/mine/1jnn) | Crystal Structure of Fab-Estradiol Complexes | Descriptor: | ESTRADIOL, MONOCLONAL ANTI-ESTRADIOL 17E12E5 IMMUNOGLOBULIN GAMMA-1 CHAIN, MONOCLONAL ANTI-ESTRADIOL 17E12E5 IMMUNOGLOBULIN KAPPA CHAIN | Authors: | Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B. | Deposit date: | 2001-07-24 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Highly specific anti-estradiol antibodies: structural characterisation and binding diversity. J.Mol.Biol., 315, 2002
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1JL7
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![BU of 1jl7 by Molmil](/molmil-images/mine/1jl7) | Crystal Structure Of CN-Ligated Component III Glycera Dibranchiata Monomeric Hemoglobin | Descriptor: | CYANIDE ION, Monomer hemoglobin component III, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, H.J, Yang, C, Treff, N, Satterlee, J.D, Kang, C. | Deposit date: | 2001-07-16 | Release date: | 2002-07-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structures of Unligated and CN-Ligated Glycera dibranchiata Monomer Ferric Hemoglobin Components III and IV Proteins, 49, 2002
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1K8L
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![BU of 1k8l by Molmil](/molmil-images/mine/1k8l) | XBY6: An analog of CK14 containing 6 dithiophosphate groups | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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1K68
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![BU of 1k68 by Molmil](/molmil-images/mine/1k68) | Crystal Structure of the Phosphorylated Cyanobacterial Phytochrome Response Regulator RcpA | Descriptor: | MAGNESIUM ION, Phytochrome Response Regulator RcpA | Authors: | Benda, C, Scheufler, C, Tandeau de Marsac, N, Gaertner, W. | Deposit date: | 2001-10-15 | Release date: | 2003-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of two cyanobacterial response regulators in apo- and phosphorylated form reveal a novel dimerization motif of phytochrome-associated response regulators Biophys.J., 87, 2004
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1K5R
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![BU of 1k5r by Molmil](/molmil-images/mine/1k5r) | YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1 | Authors: | Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R. | Deposit date: | 2001-10-12 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions. Proc.Natl.Acad.Sci.USA, 98, 2001
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1K8J
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![BU of 1k8j by Molmil](/molmil-images/mine/1k8j) | NMR STRUCTURE OF THE CK14 DNA DUPLEX: A PORTION OF THE KNOWN NF-kB SEQUENCE CK1 | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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1K8N
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![BU of 1k8n by Molmil](/molmil-images/mine/1k8n) | NMR structure of the XBY2 DNA duplex, an analog of CK14 containing phosphorodithioate groups at C22 and C24 | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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1K66
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![BU of 1k66 by Molmil](/molmil-images/mine/1k66) | Crystal Structure of the Cyanobacterial Phytochrome Response Regulator, RcpB | Descriptor: | BETA-MERCAPTOETHANOL, Phytochrome Response Regulator RcpB | Authors: | Benda, C, Scheufler, C, Tandeau de Marsac, N, Gaertner, W. | Deposit date: | 2001-10-15 | Release date: | 2003-12-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of two cyanobacterial response regulators in apo- and phosphorylated form reveal a novel dimerization motif of phytochrome-associated response regulators Biophys.J., 87, 2004
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1K8Q
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![BU of 1k8q by Molmil](/molmil-images/mine/1k8q) | CRYSTAL STRUCTURE OF DOG GASTRIC LIPASE IN COMPLEX WITH A PHOSPHONATE INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Triacylglycerol lipase, gastric, ... | Authors: | Roussel, A, Miled, N, Berti-Dupuis, L, Riviere, M, Spinelli, S, Berna, P, Gruber, V, Verger, R, Cambillau, C. | Deposit date: | 2001-10-25 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the open form of dog gastric lipase in complex with a phosphonate inhibitor. J.Biol.Chem., 277, 2002
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1KAF
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![BU of 1kaf by Molmil](/molmil-images/mine/1kaf) | DNA Binding Domain Of The Phage T4 Transcription Factor MotA (AA105-211) | Descriptor: | Transcription regulatory protein MOTA | Authors: | Li, N, Sickmier, E.A, Zhang, R, Joachimiak, A, White, S.W. | Deposit date: | 2001-11-01 | Release date: | 2001-11-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The MotA transcription factor from bacteriophage T4 contains a novel DNA-binding domain: the 'double wing' motif. Mol.Microbiol., 43, 2002
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1K72
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![BU of 1k72 by Molmil](/molmil-images/mine/1k72) | The X-ray Crystal Structure Of Cel9G Complexed With cellotriose | Descriptor: | CALCIUM ION, Endoglucanase 9G, GLYCEROL, ... | Authors: | Mandelman, D, Belaich, A, Belaich, J.P, Aghajari, N, Driguez, H, Haser, R. | Deposit date: | 2001-10-18 | Release date: | 2003-07-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Crystal Structure of the Multidomain Endoglucanase Cel9G from Clostridium
cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides J.BACTERIOL., 185, 2003
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