3LJ7
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3D17
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![BU of 3d17 by Molmil](/molmil-images/mine/3d17) | A triply ligated crystal structure of relaxed state human hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J. | Deposit date: | 2008-05-05 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A triply ligated crystal structure of relaxed state human hemoglobin TO BE PUBLISHED
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3LJT
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![BU of 3ljt by Molmil](/molmil-images/mine/3ljt) | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | Descriptor: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 1,2-ETHANEDIOL, A disintegrin and metalloproteinase with thrombospondin motifs 5, ... | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N. | Deposit date: | 2010-01-26 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure analysis reveals the flexibility of the ADAMTS-5 active site. Protein Sci., 20, 2011
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3D3E
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![BU of 3d3e by Molmil](/molmil-images/mine/3d3e) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | Deposit date: | 2008-05-09 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
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3D34
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![BU of 3d34 by Molmil](/molmil-images/mine/3d34) | Structure of the F-spondin domain of mindin | Descriptor: | CALCIUM ION, NICKEL (II) ION, Spondin-2 | Authors: | Li, Y, Mariuzza, R.A. | Deposit date: | 2008-05-09 | Release date: | 2009-02-17 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule. Embo J., 28, 2009
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3D7O
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![BU of 3d7o by Molmil](/molmil-images/mine/3d7o) | Human hemoglobin, nitrogen dioxide anion modified | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | Authors: | Yi, J, Safo, M.K, Richter-Addo, G.B. | Deposit date: | 2008-05-21 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode. Biochemistry, 47, 2008
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2XBR
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![BU of 2xbr by Molmil](/molmil-images/mine/2xbr) | Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy) | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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3D7V
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![BU of 3d7v by Molmil](/molmil-images/mine/3d7v) | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | Deposit date: | 2008-05-22 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation. J.Cell Biol., 180, 2008
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3LS7
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![BU of 3ls7 by Molmil](/molmil-images/mine/3ls7) | Crystal structure of Thermolysin in complex with Xenon | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Behnen, J, Klebe, G, Heine, A, Brumshtein, B. | Deposit date: | 2010-02-12 | Release date: | 2011-02-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Old acquantance rediscovered, use of xenon/protein complexes as a generic tool for SAD phasing of in house data To be Published
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2Y5H
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![BU of 2y5h by Molmil](/molmil-images/mine/2y5h) | FACTOR XA - CATION INHIBITOR COMPLEX | Descriptor: | 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water. Chemistry, 18, 2012
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2ZNS
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![BU of 2zns by Molmil](/molmil-images/mine/2zns) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1 | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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2ZWA
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![BU of 2zwa by Molmil](/molmil-images/mine/2zwa) | Crystal structure of tRNA wybutosine synthesizing enzyme TYW4 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Leucine carboxyl methyltransferase 2, ... | Authors: | Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O. | Deposit date: | 2008-12-01 | Release date: | 2009-06-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4. Nucleic Acids Res., 37, 2009
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2VR2
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![BU of 2vr2 by Molmil](/molmil-images/mine/2vr2) | Human Dihydropyrimidinase | Descriptor: | CHLORIDE ION, DIHYDROPYRIMIDINASE, ZINC ION | Authors: | Welin, M, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-25 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of Human Dihydropyrimidinase To be Published
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2ZDN
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![BU of 2zdn by Molmil](/molmil-images/mine/2zdn) | Exploring trypsin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Baum, B, Brandt, T, Heine, A, Klebe, G. | Deposit date: | 2007-11-26 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
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2ZDZ
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![BU of 2zdz by Molmil](/molmil-images/mine/2zdz) | X-ray structure of Bace-1 in complex with compound 3.b.10 | Descriptor: | Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide | Authors: | Chopra, R, Olland, A. | Deposit date: | 2007-12-04 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
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2ZCK
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![BU of 2zck by Molmil](/molmil-images/mine/2zck) | Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody | Descriptor: | KGISSQY, Prostate-specific antigen, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Menez, R, Stura, E, Jolivet-Reynaud, C. | Deposit date: | 2007-11-09 | Release date: | 2008-01-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody J.Mol.Biol., 376, 2008
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2ZET
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![BU of 2zet by Molmil](/molmil-images/mine/2zet) | Crystal structure of the small GTPase Rab27B complexed with the Slp homology domain of Slac2-a/melanophilin | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Melanophilin, ... | Authors: | Kukimoto-Niino, M, Sakamoto, A, Kanno, E, Hanawa-Suetsugu, K, Terada, T, Shirouzu, M, Fukuda, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-12-17 | Release date: | 2008-09-30 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the exclusive specificity of Slac2-a/melanophilin for the Rab27 GTPases. Structure, 16, 2008
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2ZFQ
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![BU of 2zfq by Molmil](/molmil-images/mine/2zfq) | Exploring thrombin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide, BENZAMIDINE, GLYCEROL, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-10 | Release date: | 2009-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring thrombin S3 pocket To be Published
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2ZFR
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![BU of 2zfr by Molmil](/molmil-images/mine/2zfr) | Exploring thrombin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide, GLYCEROL, Hirudin, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-10 | Release date: | 2009-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring thrombin S3 pocket To be Published
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3L91
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![BU of 3l91 by Molmil](/molmil-images/mine/3l91) | Structure of Pseudomonas aerugionsa PvdQ bound to octanoate | Descriptor: | 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ... | Authors: | Drake, E.J, Gulick, A.M. | Deposit date: | 2010-01-04 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis. Acs Chem.Biol., 6, 2011
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2W3I
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![BU of 2w3i by Molmil](/molmil-images/mine/2w3i) | Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 | Descriptor: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | Authors: | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | Deposit date: | 2008-11-12 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action. Bioorg.Med.Chem., 17, 2009
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2ZJL
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![BU of 2zjl by Molmil](/molmil-images/mine/2zjl) | Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | Descriptor: | Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | Authors: | Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. | Deposit date: | 2008-03-07 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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2ZW9
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![BU of 2zw9 by Molmil](/molmil-images/mine/2zw9) | Crystal structure of tRNA wybutosine synthesizing enzyme TYW4 | Descriptor: | Leucine carboxyl methyltransferase 2, S-ADENOSYLMETHIONINE | Authors: | Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O. | Deposit date: | 2008-12-01 | Release date: | 2009-06-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4. Nucleic Acids Res., 37, 2009
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2ZJM
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2ZK3
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![BU of 2zk3 by Molmil](/molmil-images/mine/2zk3) | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 8-oxo-eicosatetraenoic acid | Descriptor: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | Deposit date: | 2008-03-12 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids J.Mol.Biol., 385, 2009
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