6VGI
 
 | | Crystal Structures of FLAP bound to MK-866 | | Descriptor: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 5-lipoxygenase-activating protein, SULFATE ION | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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5LV6
 | | N-terminal motif dimerization of EGFR transmembrane domain in bicellar environment | | Descriptor: | Epidermal growth factor receptor | | Authors: | Bragin, P, Bocharov, E, Mineev, K, Bocharova, O, Arseniev, A. | | Deposit date: | 2016-09-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The Conformation of the Epidermal Growth Factor Receptor Transmembrane Domain Dimer Dynamically Adapts to the Local Membrane Environment.
Biochemistry, 56, 2017
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5IDR
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8QSQ
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5M7G
 | | Tubulin-MTD147 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-27 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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8V3P
 | | CCP5 in complex with Glu-P-peptide 2 transition state analog | | Descriptor: | Cytosolic carboxypeptidase-like protein 5, Tubulin beta-2A chain, ZINC ION | | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2023-11-28 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
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6PJL
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-95 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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2HMI
 | | HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ... | | Authors: | Ding, J, Arnold, E. | | Deposit date: | 1998-04-10 | | Release date: | 1998-10-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution.
J.Mol.Biol., 284, 1998
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4R2Y
 | | Crystal structure of APC11 RING domain | | Descriptor: | Anaphase-promoting complex subunit 11, ZINC ION | | Authors: | Brown, N.G, Watson, E.R, Weissmann, F, Jarvis, M.A, Vanderlinden, R, Grace, C.R.R, Frye, J.J, Dube, P, Qiao, R, Petzold, G, Cho, S.E, Alsharif, O, Bao, J, Zheng, J, Nourse, A, Kurinov, I, Peters, J.M, Stark, H, Schulman, B.A. | | Deposit date: | 2014-08-13 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly.
Mol.Cell, 56, 2014
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5TXL
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3'), ... | | Authors: | Das, K, Martinez, S.M, Arnold, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
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5MAH
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | Descriptor: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | Authors: | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
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6S51
 | | The crystal structure of glycogen phosphorylase in complex with 10 | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-29 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6ENM
 | | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-10-05 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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4XJK
 | | Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ... | | Authors: | Drennan, C.L, Bowman, S.E.J. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis.
J.Am.Chem.Soc., 137, 2015
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5FU7
 | | drosophila nanos NBR peptide bound to the NOT module of the human CCR4-NOT complex | | Descriptor: | CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 2, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3, ... | | Authors: | Raisch, T, Bhandari, D, Sabath, K, Helms, S, Valkov, E, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2016-01-21 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Distinct Modes of Recruitment of the Ccr4-not Complex by Drosophila and Vertebrate Nanos
Embo J., 35, 2016
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5TXN
 | | STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | | Authors: | Das, K, Martinez, S.M, Arnold, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
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6P9J
 | | crystal structure of human anti staphylococcus aureus antibody STAU-229 Fab | | Descriptor: | TRIS(HYDROXYETHYL)AMINOMETHANE, human anti staphylococcus aureus antibody STAU-229 Fab heavy chain, human anti staphylococcus aureus antibody STAU-229 Fab light chain | | Authors: | Dong, J, Crowe, J.E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
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8UF4
 | | Crystal structure of wildtype dystroglycan proteolytic domain (juxtamembrane domain) | | Descriptor: | Beta-dystroglycan, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Anderson, M.J.M, Shi, K, Hayward, A.N, Uhlens, C, Evans III, R.L, Grant, E, Greenberg, L, Aihara, H, Gordon, W.R. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural and Functional Analysis of Dystroglycan Cell Surface Cleavage Reveals a Novel Regulation Mechanism
To Be Published
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5MV2
 | | Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus | | Descriptor: | E protein | | Authors: | Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J. | | Deposit date: | 2017-01-14 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism.
Protein Cell, 10, 2019
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4XR7
 | | Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex | | Descriptor: | PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3 | | Authors: | Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E. | | Deposit date: | 2015-01-20 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.796 Å) | | Cite: | The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
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6PDT
 | | cryoEM structure of yeast glucokinase filament | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Glucokinase-1, MAGNESIUM ION, ... | | Authors: | Lynch, E.M, Dosey, A.M, Farrell, D.P, Stoddard, P.R, Kollman, J.M. | | Deposit date: | 2019-06-19 | | Release date: | 2020-03-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
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6P9I
 | | crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab | | Descriptor: | human anti staphylococcus aureus antibody STAU-399 Fab heavy chain, human anti staphylococcus aureus antibody STAU-399 Fab light chain | | Authors: | Dong, J, Crowe, J.E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
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8GUV
 | | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) | | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, Tolcapone | | Authors: | Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
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4RCZ
 | | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDPNP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-05-27 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
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