6WTQ
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![BU of 6wtq by Molmil](/molmil-images/mine/6wtq) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79968476 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTN
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![BU of 6wtn by Molmil](/molmil-images/mine/6wtn) | Human JAK2 JH1 domain in complex with Ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTP
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![BU of 6wtp by Molmil](/molmil-images/mine/6wtp) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTO
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![BU of 6wto by Molmil](/molmil-images/mine/6wto) | Human JAK2 JH1 domain in complex with Baricitinib | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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7ZTY
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![BU of 7zty by Molmil](/molmil-images/mine/7zty) | |
7ZHS
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![BU of 7zhs by Molmil](/molmil-images/mine/7zhs) | 3D reconstruction of the cylindrical assembly of DnaJA2 delta G/F by imposing D5 symmetry | Descriptor: | Ubiquitin-like protein SMT3,DnaJ homolog subfamily A member 2, ZINC ION | Authors: | Cuellar, J, Velasco-Carneros, L, Santiago, C, Martin-Benito, J, Valpuesta, J, Muga, A. | Deposit date: | 2022-04-07 | Release date: | 2023-07-26 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70. Nat Commun, 14, 2023
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6VVJ
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![BU of 6vvj by Molmil](/molmil-images/mine/6vvj) | Cap1G-TPUA | Descriptor: | RNA (130-MER) | Authors: | Summers, M.F, Brown, J.D. | Deposit date: | 2020-02-18 | Release date: | 2020-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for transcriptional start site control of HIV-1 RNA fate. Science, 368, 2020
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6VU1
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![BU of 6vu1 by Molmil](/molmil-images/mine/6vu1) | |
6G76
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![BU of 6g76 by Molmil](/molmil-images/mine/6g76) | |
6G78
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![BU of 6g78 by Molmil](/molmil-images/mine/6g78) | RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6G77
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![BU of 6g77 by Molmil](/molmil-images/mine/6g77) | RSK4 N-terminal Kinase Domain in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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8BVD
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![BU of 8bvd by Molmil](/molmil-images/mine/8bvd) | FimH lectin domain in complex with mannose C-linked to quinoline | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin | Authors: | Bouckaert, J, Bridot, C. | Deposit date: | 2022-12-03 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2.995 Å) | Cite: | Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists. Pharmaceutics, 15, 2023
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6Z3Z
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![BU of 6z3z by Molmil](/molmil-images/mine/6z3z) | |
6Z3Y
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![BU of 6z3y by Molmil](/molmil-images/mine/6z3y) | |
5TFT
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![BU of 5tft by Molmil](/molmil-images/mine/5tft) | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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7LX2
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![BU of 7lx2 by Molmil](/molmil-images/mine/7lx2) | Cryo-EM structure of ConSOSL.UFO.664 (ConS) in complex with bNAb PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | Deposit date: | 2021-03-03 | Release date: | 2022-03-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens. Npj Vaccines, 8, 2023
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7LX3
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![BU of 7lx3 by Molmil](/molmil-images/mine/7lx3) | Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | Deposit date: | 2021-03-03 | Release date: | 2022-03-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens. Npj Vaccines, 8, 2023
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7LXM
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![BU of 7lxm by Molmil](/molmil-images/mine/7lxm) | Cryo-EM structure of ConM SOSIP.v7 (ConM) in complex with bNAb PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env glycoprotein gp120, ... | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens. Npj Vaccines, 8, 2023
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7LXN
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![BU of 7lxn by Molmil](/molmil-images/mine/7lxn) | Cryo-EM structure of EDC-crosslinked ConM SOSIP.v7 (ConM-EDC) in complex with bNAb PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env glycoprotein gp120, ... | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens. Npj Vaccines, 8, 2023
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6UH7
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![BU of 6uh7 by Molmil](/molmil-images/mine/6uh7) | EV-A71 strain 11316 complexed with MADAL compound 30 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Lee, H, Hafenstein, S. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J.Med.Chem., 63, 2020
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6UM5
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![BU of 6um5 by Molmil](/molmil-images/mine/6um5) | Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F. | Deposit date: | 2019-10-09 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation. Science, 366, 2019
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6UH6
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![BU of 6uh6 by Molmil](/molmil-images/mine/6uh6) | EV-A71 strain 11316 complexed with MADAL compound 22 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Lee, H, Hafenstein, S. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J.Med.Chem., 63, 2020
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6RW3
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![BU of 6rw3 by Molmil](/molmil-images/mine/6rw3) | The molecular basis for sugar import in malaria parasites. | Descriptor: | Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose | Authors: | Qureshi, A, Matsuoka, R, Brock, J, Drew, D. | Deposit date: | 2019-06-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | The molecular basis for sugar import in malaria parasites. Nature, 578, 2020
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5T1W
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![BU of 5t1w by Molmil](/molmil-images/mine/5t1w) | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, CHLORIDE ION, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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5T1U
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![BU of 5t1u by Molmil](/molmil-images/mine/5t1u) | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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