3SAB
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![BU of 3sab by Molmil](/molmil-images/mine/3sab) | Crystal structure of wild-type HIV-1 protease in complex with AF78 | Descriptor: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
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3SHL
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![BU of 3shl by Molmil](/molmil-images/mine/3shl) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Redirection of internal ionizable residues by engineered cavities To be Published
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3SMM
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![BU of 3smm by Molmil](/molmil-images/mine/3smm) | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ... | Authors: | Anders, C, Schumacher, B, Ottmann, C. | Deposit date: | 2011-06-28 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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3SN4
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![BU of 3sn4 by Molmil](/molmil-images/mine/3sn4) | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate To be Published
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3SL5
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![BU of 3sl5 by Molmil](/molmil-images/mine/3sl5) | Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Feil, S.F. | Deposit date: | 2011-06-24 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2. Bioorg.Med.Chem.Lett., 21, 2011
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3SEI
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![BU of 3sei by Molmil](/molmil-images/mine/3sei) | Crystal Structure of Caskin1 Tandem SAMs | Descriptor: | CHLORIDE ION, Caskin-1, SULFATE ION | Authors: | Stafford, R.L, Bowie, J.U. | Deposit date: | 2011-06-10 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK. Structure, 19, 2011
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3S9L
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![BU of 3s9l by Molmil](/molmil-images/mine/3s9l) | Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, cryocooled 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | Authors: | Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J. | Deposit date: | 2011-06-01 | Release date: | 2011-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH. Proc.Natl.Acad.Sci.USA, 108, 2011
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3SGY
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![BU of 3sgy by Molmil](/molmil-images/mine/3sgy) | |
3VKR
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![BU of 3vkr by Molmil](/molmil-images/mine/3vkr) | Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with high X-ray dose | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ... | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | Deposit date: | 2011-11-20 | Release date: | 2012-04-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy Proteins, 80, 2012
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3V81
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![BU of 3v81 by Molmil](/molmil-images/mine/3v81) | Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | Authors: | Das, K, Martinez, S.E, Arnold, E. | Deposit date: | 2011-12-22 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8503 Å) | Cite: | HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
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3VLZ
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![BU of 3vlz by Molmil](/molmil-images/mine/3vlz) | Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full complex from tobacco leaf | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ... | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | Deposit date: | 2011-12-05 | Release date: | 2012-09-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity Chem.Biodivers., 9, 2012
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3V9G
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![BU of 3v9g by Molmil](/molmil-images/mine/3v9g) | |
3VAX
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![BU of 3vax by Molmil](/molmil-images/mine/3vax) | Crystal structure of DndA from streptomyces lividans | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA | Authors: | Zhang, Z, Chen, F, Lin, K, Wu, G. | Deposit date: | 2011-12-30 | Release date: | 2013-01-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation Plos One, 7, 2012
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3VER
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![BU of 3ver by Molmil](/molmil-images/mine/3ver) | Crystal structure of the O-carbamoyltransferase TobZ in complex with carbamoyl adenylate intermediate | Descriptor: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, FE (II) ION, O-carbamoyltransferase TobZ, ... | Authors: | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | Deposit date: | 2012-01-09 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. Angew.Chem.Int.Ed.Engl., 51, 2012
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3VF8
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![BU of 3vf8 by Molmil](/molmil-images/mine/3vf8) | |
3VGK
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![BU of 3vgk by Molmil](/molmil-images/mine/3vgk) | Crystal structure of a ROK family glucokinase from Streptomyces griseus | Descriptor: | Glucokinase, SULFATE ION, ZINC ION | Authors: | Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus J.Bacteriol., 194, 2012
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3VKQ
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![BU of 3vkq by Molmil](/molmil-images/mine/3vkq) | Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with middle X-ray dose | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ... | Authors: | Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K. | Deposit date: | 2011-11-20 | Release date: | 2012-04-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy Proteins, 80, 2012
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3VL6
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![BU of 3vl6 by Molmil](/molmil-images/mine/3vl6) | |
3VNP
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![BU of 3vnp by Molmil](/molmil-images/mine/3vnp) | Crystal structure of hypothetical protein (GK2848) from Geobacillus Kaustophilus | Descriptor: | ACETIC ACID, Hypothetical conserved protein, MAGNESIUM ION | Authors: | Karthe, P.P, Kumarevel, T.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2012-01-17 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of hypothetical protein (GK2848) from Geobacillus Kaustophilus To be Published
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3VOP
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![BU of 3vop by Molmil](/molmil-images/mine/3vop) | Structure of Vaccinia virus A27 | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein A27 | Authors: | Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J. | Deposit date: | 2012-01-31 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein. Plos Pathog., 9, 2013
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3VPM
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![BU of 3vpm by Molmil](/molmil-images/mine/3vpm) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit To be Published
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3V9R
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![BU of 3v9r by Molmil](/molmil-images/mine/3v9r) | Crystal structure of Saccharomyces cerevisiae MHF complex | Descriptor: | SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A | Authors: | Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J. | Deposit date: | 2011-12-28 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer Structure, 20, 2012
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3VQU
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![BU of 3vqu by Molmil](/molmil-images/mine/3vqu) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
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3VAK
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![BU of 3vak by Molmil](/molmil-images/mine/3vak) | Structure of U2AF65 variant with BrU5 DNA | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ... | Authors: | Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2011-12-29 | Release date: | 2013-02-13 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
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3VB1
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![BU of 3vb1 by Molmil](/molmil-images/mine/3vb1) | |