7CGE
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![BU of 7cge by Molmil](/molmil-images/mine/7cge) | The overall structure of nucleotide free MlaFEDB complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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7CGN
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![BU of 7cgn by Molmil](/molmil-images/mine/7cgn) | The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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4WY6
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![BU of 4wy6 by Molmil](/molmil-images/mine/4wy6) | Crystal structure of human BACE-1 bound to Compound 36 | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Vajdos, F.F. | Deposit date: | 2014-11-15 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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5US4
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![BU of 5us4 by Molmil](/molmil-images/mine/5us4) | Crystal structure of human KRAS G12D mutant in complex with GDP | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-13 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
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4R3P
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![BU of 4r3p by Molmil](/molmil-images/mine/4r3p) | Crystal structures of EGFR in complex with Mig6 | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1 | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | Deposit date: | 2014-08-17 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6. Nat.Struct.Mol.Biol., 22, 2015
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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5DA0
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![BU of 5da0 by Molmil](/molmil-images/mine/5da0) | Structure of the the SLC26 transporter SLC26Dg in complex with a nanobody | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, Nanobody, Sulphate transporter | Authors: | Dutzler, R, Geertsma, E.R, Chang, Y, Shaik, F.R. | Deposit date: | 2015-08-19 | Release date: | 2015-09-09 | Last modified: | 2015-10-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of a prokaryotic fumarate transporter reveals the architecture of the SLC26 family. Nat.Struct.Mol.Biol., 22, 2015
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4WVU
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![BU of 4wvu by Molmil](/molmil-images/mine/4wvu) | CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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5CZJ
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![BU of 5czj by Molmil](/molmil-images/mine/5czj) | |
7UMG
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![BU of 7umg by Molmil](/molmil-images/mine/7umg) | Crystal structure of human CD8aa-MR1-Ac-6-FP complex | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, Major histocompatibility complex class I-related gene protein, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2022-04-06 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells. J.Exp.Med., 219, 2022
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4YGX
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![BU of 4ygx by Molmil](/molmil-images/mine/4ygx) | |
4YH1
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![BU of 4yh1 by Molmil](/molmil-images/mine/4yh1) | |
4TKR
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![BU of 4tkr by Molmil](/molmil-images/mine/4tkr) | Native-SAD phasing for ThiT from Listeria monocytogenes serovar. | Descriptor: | 2-O-octyl-beta-D-glucopyranose, THIAMINE DIPHOSPHATE, Thiamine transporter thia | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.0023 Å) | Cite: | Multi-crystal native SAD analysis at 6 keV. Acta Crystallogr.,Sect.D, 70, 2014
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4TLW
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![BU of 4tlw by Molmil](/molmil-images/mine/4tlw) | CARDS TOXIN, FULL-LENGTH | Descriptor: | ADP-ribosylating toxin CARDS | Authors: | Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J. | Deposit date: | 2014-05-30 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae. Proc.Natl.Acad.Sci.USA, 112, 2015
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7CH0
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![BU of 7ch0 by Molmil](/molmil-images/mine/7ch0) | The overall structure of the MlaFEDB complex in ATP-bound EQclose conformation (Mutation of E170Q on MlaF) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | Authors: | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-07-03 | Release date: | 2020-09-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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5SVX
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![BU of 5svx by Molmil](/molmil-images/mine/5svx) | |
4TLV
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![BU of 4tlv by Molmil](/molmil-images/mine/4tlv) | CARDS TOXIN, NICKED | Descriptor: | ACETATE ION, ADP-ribosylating toxin CARDS, GLYCEROL, ... | Authors: | Taylor, A.B, Pakhomova, O.N, Hart, P.J. | Deposit date: | 2014-05-30 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae. Proc.Natl.Acad.Sci.USA, 112, 2015
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4X2L
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![BU of 4x2l by Molmil](/molmil-images/mine/4x2l) | Crystal structure of human BACE-1 bound to Compound 6 | Descriptor: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Vajdos, F.F, Parris, K. | Deposit date: | 2014-11-26 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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5URC
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![BU of 5urc by Molmil](/molmil-images/mine/5urc) | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | Deposit date: | 2017-02-10 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease. Mol. Pharm., 14, 2017
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7CF9
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![BU of 7cf9 by Molmil](/molmil-images/mine/7cf9) | Structure of RyR1 (Ca2+/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-06-24 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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8T51
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![BU of 8t51 by Molmil](/molmil-images/mine/8t51) | Crystal structure of Fab 3.10C2 bound to TREM2 | Descriptor: | 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ... | Authors: | Hsu, P.L, Wallweber, H. | Deposit date: | 2023-06-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining To Be Published
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3JCT
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![BU of 3jct by Molmil](/molmil-images/mine/3jct) | Cryo-em structure of eukaryotic pre-60S ribosomal subunits | Descriptor: | 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | Authors: | Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N. | Deposit date: | 2016-03-09 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes Nature, 534, 2016
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4F3W
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![BU of 4f3w by Molmil](/molmil-images/mine/4f3w) | |
8F5F
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![BU of 8f5f by Molmil](/molmil-images/mine/8f5f) | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.149 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5J
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![BU of 8f5j by Molmil](/molmil-images/mine/8f5j) | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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