1RIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1riw by Molmil](/molmil-images/mine/1riw) | Thrombin in complex with natural product inhibitor Oscillarin | Descriptor: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | Authors: | Hanessian, S, Tremblay, M, Petersen, J.F.W. | Deposit date: | 2003-11-18 | Release date: | 2004-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin J.Am.Chem.Soc., 126, 2004
|
|
1RWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwc by Molmil](/molmil-images/mine/1rwc) | Crystal structure of Arthrobacter aurescens chondroitin AC lyase | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | Deposit date: | 2003-12-16 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism J.Mol.Biol., 337, 2004
|
|
1UY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uy0 by Molmil](/molmil-images/mine/1uy0) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with glc-1,3-glc-1,4-glc-1,3-glc | Descriptor: | CALCIUM ION, CELLULASE B, CHLORIDE ION, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
|
|
1V4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v4s by Molmil](/molmil-images/mine/1v4s) | Crystal structure of human glucokinase | Descriptor: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, SODIUM ION, alpha-D-glucopyranose, ... | Authors: | Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y. | Deposit date: | 2003-11-19 | Release date: | 2004-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase Structure, 12, 2004
|
|
1UMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uma by Molmil](/molmil-images/mine/1uma) | ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ... | Authors: | Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M. | Deposit date: | 1996-03-26 | Release date: | 1996-11-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. J.Mol.Biol., 258, 1996
|
|
1UYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uyz by Molmil](/molmil-images/mine/1uyz) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with xylotetraose | Descriptor: | CALCIUM ION, CELLULASE B, GLYCEROL, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
|
|
2B8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b8o by Molmil](/molmil-images/mine/2b8o) | |
1T8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t8u by Molmil](/molmil-images/mine/1t8u) | Crystal Structure of human 3-O-Sulfotransferase-3 with bound PAP and tetrasaccharide substrate | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ... | Authors: | Moon, A.F, Edavettal, S.C, Krahn, J.M, Munoz, E.M, Negishi, M, Linhardt, R.J, Liu, J, Pedersen, L.C. | Deposit date: | 2004-05-13 | Release date: | 2004-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of the sulfotransferase (3-o-sulfotransferase isoform 3) involved in the biosynthesis of an entry receptor for herpes simplex virus 1 J.Biol.Chem., 279, 2004
|
|
1T0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t0i by Molmil](/molmil-images/mine/1t0i) | YLR011wp, a Saccharomyces cerevisiae NA(D)PH-dependent FMN reductase | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, YLR011wp | Authors: | Liger, D, Graille, M, Zhou, C.-Z, Leulliot, N, Quevillon-Cheruel, S, Blondeau, K, Janin, J, van Tilbeurgh, H. | Deposit date: | 2004-04-09 | Release date: | 2004-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Functional Characterization of Yeast YLR011wp, an Enzyme with NAD(P)H-FMN and Ferric Iron Reductase Activities J.Biol.Chem., 279, 2004
|
|
1UY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uy4 by Molmil](/molmil-images/mine/1uy4) | |
2F6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f6d by Molmil](/molmil-images/mine/2f6d) | Structure of the complex of a glucoamylase from Saccharomycopsis fibuligera with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Glucoamylase GLU1, PHOSPHATE ION, ... | Authors: | Sevcik, J, Hostinova, E, Solovicova, A, Gasperik, J, Dauter, Z, Wilson, K.S. | Deposit date: | 2005-11-29 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the complex of a yeast glucoamylase with acarbose reveals the presence of a raw starch binding site on the catalytic domain. Febs J., 273, 2006
|
|
1UY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uy3 by Molmil](/molmil-images/mine/1uy3) | |
1UY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uy2 by Molmil](/molmil-images/mine/1uy2) | |
2DUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dua by Molmil](/molmil-images/mine/2dua) | |
1S5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s5m by Molmil](/molmil-images/mine/1s5m) | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | Deposit date: | 2004-01-21 | Release date: | 2004-02-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,). Biochemistry, 43, 2004
|
|
1W8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w8o by Molmil](/molmil-images/mine/1w8o) | Contribution of the Active Site Aspartic Acid to Catalysis in the Bacterial Neuraminidase from Micromonospora viridifaciens | Descriptor: | BACTERIAL SIALIDASE, CITRIC ACID, GLYCEROL, ... | Authors: | Newstead, S, Watson, J.N, Dookhun, V, Bennet, A.J, Taylor, G. | Deposit date: | 2004-09-24 | Release date: | 2004-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Contribution of the Active Site Aspartic Acid to Catalysis in the Bacterial Neuraminidase from Micromonospora Viridifaciens FEBS Lett., 577, 2004
|
|
2FTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ftx by Molmil](/molmil-images/mine/2ftx) | Crystal structure of the yeast kinetochore Spc24/Spc25 globular domain | Descriptor: | Hypothetical 24.6 kDa protein in ILV2-ADE17 intergenic region, Hypothetical 25.2 kDa protein in AFG3-SEB2 intergenic region, PHOSPHATE ION, ... | Authors: | Wei, R.R, Harrison, S.C. | Deposit date: | 2006-01-25 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic Structure of the kinetochore Spc24p/Spc25p globular domain reveals a novel fold To be Published
|
|
8VNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vnu by Molmil](/molmil-images/mine/8vnu) | |
8TRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8trv by Molmil](/molmil-images/mine/8trv) | Structure of the EphA2 LBDCRD bound to FabS1C_C1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-10 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be Published
|
|
9FEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fea by Molmil](/molmil-images/mine/9fea) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fe7 by Molmil](/molmil-images/mine/9fe7) | Crystal Structure of oxidized NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fe5 by Molmil](/molmil-images/mine/9fe5) | Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fe8 by Molmil](/molmil-images/mine/9fe8) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fdj by Molmil](/molmil-images/mine/9fdj) | Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|
9FIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fih by Molmil](/molmil-images/mine/9fih) | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
|
|