2RJQ
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![BU of 2rjq by Molmil](/molmil-images/mine/2rjq) | Crystal structure of ADAMTS5 with inhibitor bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ... | Authors: | Mosyak, L, Stahl, M, Somers, W. | Deposit date: | 2007-10-15 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5. Protein Sci., 17, 2008
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2RDQ
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![BU of 2rdq by Molmil](/molmil-images/mine/2rdq) | Crystal Structure of PtlH with Fe/alpha ketoglutarate bound | Descriptor: | 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, 2-OXOGLUTARIC ACID, FE (III) ION, ... | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | Deposit date: | 2007-09-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis. J.Biol.Chem., 282, 2007
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8K1T
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![BU of 8k1t by Molmil](/molmil-images/mine/8k1t) | Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of MgCl2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | Authors: | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB. Nat Commun, 15, 2024
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2RKI
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![BU of 2rki by Molmil](/molmil-images/mine/2rki) | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | Descriptor: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2007-10-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis. Bioorg.Med.Chem.Lett., 18, 2008
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2REQ
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![BU of 2req by Molmil](/molmil-images/mine/2req) | |
8OJW
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![BU of 8ojw by Molmil](/molmil-images/mine/8ojw) | |
1WDQ
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![BU of 1wdq by Molmil](/molmil-images/mine/1wdq) | The role of an inner loop in the catalytic mechanism of soybean beta-amylase | Descriptor: | Beta-amylase, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Kang, Y.N, Adachi, M, Utsumi, S, Mikami, B. | Deposit date: | 2004-05-17 | Release date: | 2005-04-05 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism. Biochemistry, 44, 2005
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2WYJ
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![BU of 2wyj by Molmil](/molmil-images/mine/2wyj) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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2WY6
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![BU of 2wy6 by Molmil](/molmil-images/mine/2wy6) | Clostridium perfringens alpha-toxin strain NCTC8237 mutant T74I | Descriptor: | CADMIUM ION, CALCIUM ION, GLYCEROL, ... | Authors: | Vachieri, S.G, Naylor, C.E, Basak, A.K. | Deposit date: | 2009-11-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain Acta Crystallogr.,Sect.D, 66, 2011
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2ROC
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![BU of 2roc by Molmil](/molmil-images/mine/2roc) | Solution structure of Mcl-1 Complexed with Puma | Descriptor: | Bcl-2-binding component 3, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1 J.Mol.Biol., 380, 2008
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2RLF
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![BU of 2rlf by Molmil](/molmil-images/mine/2rlf) | |
6HU9
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![BU of 6hu9 by Molmil](/molmil-images/mine/6hu9) | III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ... | Authors: | Hartley, A.M, Pinotsis, N, Marechal, A. | Deposit date: | 2018-10-05 | Release date: | 2018-12-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1. Nat. Struct. Mol. Biol., 26, 2019
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8JTS
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![BU of 8jts by Molmil](/molmil-images/mine/8jts) | hOCT1 in complex with metformin in outward open conformation | Descriptor: | Metformin, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JU0
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![BU of 8ju0 by Molmil](/molmil-images/mine/8ju0) | hOCT1 in complex with spironolactone in inward facing occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-23 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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3LUN
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![BU of 3lun by Molmil](/molmil-images/mine/3lun) | Structure of ulilysin mutant M290C | Descriptor: | ARGININE, CALCIUM ION, GLYCEROL, ... | Authors: | Tallant, C, Garcia-Castellanos, R, Baumann, U, Gomis-Ruth, F.X. | Deposit date: | 2010-02-18 | Release date: | 2010-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | On the relevance of the Met-turn methionine in metzincins. J.Biol.Chem., 285, 2010
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8JTW
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![BU of 8jtw by Molmil](/molmil-images/mine/8jtw) | hOCT1 in complex with nb5660 in inward facing partially open 1 conformation | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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1WHE
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![BU of 1whe by Molmil](/molmil-images/mine/1whe) | COAGULATION FACTOR, NMR, 20 STRUCTURES | Descriptor: | COAGULATION FACTOR X | Authors: | Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J. | Deposit date: | 1996-06-18 | Release date: | 1997-05-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | The relative orientation of Gla and EGF domains in coagulation factor X is altered by Ca2+ binding to the first EGF domain. A combined NMR-small angle X-ray scattering study. Biochemistry, 35, 1996
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8JTX
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![BU of 8jtx by Molmil](/molmil-images/mine/8jtx) | hOCT1 in complex with nb5660 in inward facing fully open conformation | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JTZ
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![BU of 8jtz by Molmil](/molmil-images/mine/8jtz) | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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2WNP
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![BU of 2wnp by Molmil](/molmil-images/mine/2wnp) | M-ficolin mutant Y271F | Descriptor: | CALCIUM ION, FICOLIN-1, ISOPROPYL ALCOHOL | Authors: | Gout, E, Garlatti, V, Smith, D.F, Lacroix, M, Dumestre-Perard, C, Lunardi, T, Arlaud, G.J, Gaboriaud, C, Thielens, N.M. | Deposit date: | 2009-07-16 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Carbohydrate Recognition Properties of Human Ficolins: Glycan Array Screening Reveals the Sialic Acid Binding Specificity of M-Ficolin. J.Biol.Chem., 285, 2010
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8OJX
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![BU of 8ojx by Molmil](/molmil-images/mine/8ojx) | Streptavidin S112YK121E artificial metalloenzyme for carboamination | Descriptor: | IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2023-03-25 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Streptavidin WT artificial metalloenzyme for carboamination To Be Published
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8K1R
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![BU of 8k1r by Molmil](/molmil-images/mine/8k1r) | YeeE(TsuA)-YeeD(TsuB) complex for thiosulfate uptake | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Spirochaeta thermophila YeeE(TsuA)-YeeD(TsuB),UPF0033 domain-containing protein, SirA-like domain-containing protein (chimera) | Authors: | Ikei, M, Miyazaki, R, Monden, K, Naito, Y, Takeuchi, A, Takahashi, Y.S, Tanaka, Y, Ichikawa, M, Tsukazaki, T. | Deposit date: | 2023-07-11 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of YeeE-YeeD complex for sophisticated thiosulfate uptake To Be Published
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6H8Y
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1WN6
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![BU of 1wn6 by Molmil](/molmil-images/mine/1wn6) | Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S | Descriptor: | 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ... | Authors: | Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T. | Deposit date: | 2004-07-27 | Release date: | 2005-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc J.Biol.Chem., 282, 2007
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2WNC
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![BU of 2wnc by Molmil](/molmil-images/mine/2wnc) | Crystal structure of Aplysia ACHBP in complex with tropisetron | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | Deposit date: | 2009-07-08 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. EMBO J., 28, 2009
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