5SVJ
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![BU of 5svj by Molmil](/molmil-images/mine/5svj) | Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2016-08-06 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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4AEN
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![BU of 4aen by Molmil](/molmil-images/mine/4aen) | HLA-DR1 with covalently linked CLIP106-120 in reversed orientation | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | Deposit date: | 2012-01-11 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex. J.Mol.Biol., 423, 2012
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6QV6
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![BU of 6qv6 by Molmil](/molmil-images/mine/6qv6) | |
6QVB
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![BU of 6qvb by Molmil](/molmil-images/mine/6qvb) | |
5T9N
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![BU of 5t9n by Molmil](/molmil-images/mine/5t9n) | Structure of rabbit RyR1 (Ca2+-only dataset, class 2) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-09 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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8FWK
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6QYP
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![BU of 6qyp by Molmil](/molmil-images/mine/6qyp) | Structure of Mcl-1 in complex with compound 13 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5TAZ
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![BU of 5taz by Molmil](/molmil-images/mine/5taz) | Structure of rabbit RyR1 (ryanodine dataset, class 3) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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6QZ5
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![BU of 6qz5 by Molmil](/molmil-images/mine/6qz5) | Structure of Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZF
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![BU of 6qzf by Molmil](/molmil-images/mine/6qzf) | The cryo-EM structure of the collar complex and tail axis in genome emptied bacteriophage phi29 | Descriptor: | Portal protein, Pre-neck appendage protein, Proximal tail tube connector protein | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | Deposit date: | 2019-03-11 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural assembly of the tailed bacteriophage φ29. Nat Commun, 10, 2019
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8FHN
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![BU of 8fhn by Molmil](/molmil-images/mine/8fhn) | Cryo-EM structure of human NCC (class 2) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | Authors: | Zhang, J, Fan, M, Feng, L. | Deposit date: | 2022-12-14 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter. Nature, 614, 2023
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5TAL
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![BU of 5tal by Molmil](/molmil-images/mine/5tal) | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1&2) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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6QMU
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4CPH
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![BU of 4cph by Molmil](/molmil-images/mine/4cph) | trans-divalent streptavidin with love-hate ligand 4 | Descriptor: | 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, STREPTAVIDIN | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | Deposit date: | 2014-02-06 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
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8FHO
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![BU of 8fho by Molmil](/molmil-images/mine/8fho) | Cryo-EM structure of human NCC (class 1) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ... | Authors: | Zhang, J, Fan, M, Feng, L. | Deposit date: | 2022-12-14 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter. Nature, 614, 2023
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5TAW
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![BU of 5taw by Molmil](/molmil-images/mine/5taw) | Structure of rabbit RyR1 (ryanodine dataset, all particles) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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8FHR
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![BU of 8fhr by Molmil](/molmil-images/mine/8fhr) | Cryo-EM structure of human NCC (class 3-3) | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | Authors: | Zhang, J, Fan, M, Feng, L. | Deposit date: | 2022-12-14 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter. Nature, 614, 2023
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8FHP
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![BU of 8fhp by Molmil](/molmil-images/mine/8fhp) | Cryo-EM structure of human NCC (class 3-1) | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | Authors: | Zhang, J, Fan, M, Feng, L. | Deposit date: | 2022-12-14 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter. Nature, 614, 2023
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8FG7
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5TF7
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![BU of 5tf7 by Molmil](/molmil-images/mine/5tf7) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFF
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![BU of 5tff by Molmil](/molmil-images/mine/5tff) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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4D3M
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![BU of 4d3m by Molmil](/molmil-images/mine/4d3m) | |
5TGK
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![BU of 5tgk by Molmil](/molmil-images/mine/5tgk) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-28 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator. J. Biol. Chem., 2018
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8FG5
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![BU of 8fg5 by Molmil](/molmil-images/mine/8fg5) | Apo mouse acidic mammalian chitinase, catalytic domain at 100 K | Descriptor: | Acidic mammalian chitinase, MAGNESIUM ION | Authors: | Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2022-12-12 | Release date: | 2023-03-01 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Biorxiv, 2024
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2JO9
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![BU of 2jo9 by Molmil](/molmil-images/mine/2jo9) | Mouse Itch 3rd WW domain complex with the Epstein-Barr virus latent membrane protein 2A derived peptide EEPPPPYED | Descriptor: | Itchy E3 ubiquitin protein ligase, Latent membrane protein 2 | Authors: | Macias, M.J, Shaw, A.Z, Martin-Malpartida, P, Morales, B, Ruiz, L, Ramirez-Espain, X, Yraola, F, Royo, M. | Deposit date: | 2007-03-01 | Release date: | 2007-04-17 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR Structural Studies of the ItchWW3 Domain Reveal that Phosphorylation at T30 Inhibits the Interaction with PPxY-Containing Ligands Structure, 15, 2007
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