6XVF
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![BU of 6xvf by Molmil](/molmil-images/mine/6xvf) | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-01-21 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites. Front Cell Infect Microbiol, 10, 2020
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7NPT
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![BU of 7npt by Molmil](/molmil-images/mine/7npt) | Cytosolic bridge of an intact ESX-5 inner membrane complex | Descriptor: | ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-05-26 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPS
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![BU of 7nps by Molmil](/molmil-images/mine/7nps) | Structure of the periplasmic assembly from the ESX-5 inner membrane complex, C1 model | Descriptor: | ESX-5 secretion system ATPase EccB5, Mycosin-5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NP7
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![BU of 7np7 by Molmil](/molmil-images/mine/7np7) | Structure of an intact ESX-5 inner membrane complex, Composite C1 model | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ... | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPU
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![BU of 7npu by Molmil](/molmil-images/mine/7npu) | MycP5-free ESX-5 inner membrane complex, state I | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.48 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPR
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![BU of 7npr by Molmil](/molmil-images/mine/7npr) | Structure of an intact ESX-5 inner membrane complex, Composite C3 model | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5, ... | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NPV
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![BU of 7npv by Molmil](/molmil-images/mine/7npv) | MycP5-free ESX-5 inner membrane complex, State II | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.66 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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6SNJ
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![BU of 6snj by Molmil](/molmil-images/mine/6snj) | |
7QZW
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![BU of 7qzw by Molmil](/molmil-images/mine/7qzw) | Hm-AMP8 | Descriptor: | Hm-AMP8 | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | Deposit date: | 2022-02-01 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases To Be Published
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5OR0
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![BU of 5or0 by Molmil](/molmil-images/mine/5or0) | |
9C84
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![BU of 9c84 by Molmil](/molmil-images/mine/9c84) | |
9C81
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![BU of 9c81 by Molmil](/molmil-images/mine/9c81) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K, Bassim, V. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C6P
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![BU of 9c6p by Molmil](/molmil-images/mine/9c6p) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide, AmpC Beta-lactamase | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-08 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.663 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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4X2Q
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![BU of 4x2q by Molmil](/molmil-images/mine/4x2q) | Crystal Structure of Human Aldehyde Dehydrogenase, ALDH1a2 | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2 | Authors: | Stenkamp, R.E, Le Trong, I, Amory, J.K, Paik, J, Goldstein, A.S. | Deposit date: | 2014-11-26 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Synthesis and In Vitro Testing of Bisdichloroacetyldiamine Analogs for Use as a Reversible Male Contraceptive To Be Published
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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6QKC
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![BU of 6qkc by Molmil](/molmil-images/mine/6qkc) | GluA1/2 In complex with auxiliary subunit gamma-8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ... | Authors: | Herguedas, B, Garcia-Nafria, J, Greger, I.G. | Deposit date: | 2019-01-28 | Release date: | 2019-03-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8. Science, 364, 2019
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6QKZ
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![BU of 6qkz by Molmil](/molmil-images/mine/6qkz) | Full length GluA1/2-gamma8 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, ... | Authors: | Herguedas, B, Garcia-Nafria, J, Greger, I.G. | Deposit date: | 2019-01-30 | Release date: | 2019-03-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8. Science, 364, 2019
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6I7F
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![BU of 6i7f by Molmil](/molmil-images/mine/6i7f) | Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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7OCC
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![BU of 7occ by Molmil](/molmil-images/mine/7occ) | NTD of resting state GluA1/A2 heterotertramer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 1, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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7OCA
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![BU of 7oca by Molmil](/molmil-images/mine/7oca) | Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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7OCD
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![BU of 7ocd by Molmil](/molmil-images/mine/7ocd) | Resting state GluA1/A2 heterotetramer in complex with auxiliary subunit TARP gamma 8 (LBD-TMD) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 2, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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6O9G
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![BU of 6o9g by Molmil](/molmil-images/mine/6o9g) | Open state GluA2 in complex with STZ and blocked by AgTx-636, after micelle signal subtraction | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ... | Authors: | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | Deposit date: | 2019-03-13 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors. Neuron, 99, 2018
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6I6G
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![BU of 6i6g by Molmil](/molmil-images/mine/6i6g) | Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole | Descriptor: | 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-15 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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7OOD
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![BU of 7ood by Molmil](/molmil-images/mine/7ood) | Mycoplasma pneumoniae 50S subunit of ribosomes in chloramphenicol-treated cells | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Xue, L, Lenz, S, Rappsilber, J, Mahamid, J. | Deposit date: | 2021-05-27 | Release date: | 2022-05-25 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Visualizing translation dynamics at atomic detail inside a bacterial cell. Nature, 610, 2022
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7U19
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![BU of 7u19 by Molmil](/molmil-images/mine/7u19) | RFC:PCNA bound to nicked DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA, MAGNESIUM ION, ... | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | Deposit date: | 2022-02-20 | Release date: | 2022-07-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA. Elife, 11, 2022
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