5XYZ
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![BU of 5xyz by Molmil](/molmil-images/mine/5xyz) | The structure of human BTK kinase domain in complex with a covalent inhibitor | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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5XYX
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![BU of 5xyx by Molmil](/molmil-images/mine/5xyx) | The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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5XYY
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![BU of 5xyy by Molmil](/molmil-images/mine/5xyy) | The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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3RZ2
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![BU of 3rz2 by Molmil](/molmil-images/mine/3rz2) | Crystal of Prl-1 complexed with peptide | Descriptor: | Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1 | Authors: | Zhang, Z.-Y, Liu, D, Bai, Y. | Deposit date: | 2011-05-11 | Release date: | 2011-10-26 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein. J.Biol.Chem., 286, 2011
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7EZO
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![BU of 7ezo by Molmil](/molmil-images/mine/7ezo) | |
7JH4
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![BU of 7jh4 by Molmil](/molmil-images/mine/7jh4) | Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R. | Deposit date: | 2020-07-20 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | NfoR: Chromate Reductase or Flavin Mononucleotide Reductase? Appl.Environ.Microbiol., 86, 2020
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6J8I
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![BU of 6j8i by Molmil](/molmil-images/mine/6j8i) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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6J8G
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![BU of 6j8g by Molmil](/molmil-images/mine/6j8g) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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6J8H
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![BU of 6j8h by Molmil](/molmil-images/mine/6j8h) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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6J8J
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![BU of 6j8j by Molmil](/molmil-images/mine/6j8j) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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7WJU
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![BU of 7wju by Molmil](/molmil-images/mine/7wju) | Cryo-EM structure of the AsCas12f1-sgRNAv1-dsDNA ternary complex | Descriptor: | Non-target strand, OrfB_Zn_ribbon domain-containing protein, Target strand, ... | Authors: | Wu, Z, Liu, D, Shen, H, Ji, Q. | Deposit date: | 2022-01-07 | Release date: | 2023-01-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structure-directed functional evolution of the miniature CRISPR-AsCas12f1 system To Be Published
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7ULU
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![BU of 7ulu by Molmil](/molmil-images/mine/7ulu) | Human DDAH1 soaked with its inhibitor ClPyrAA | Descriptor: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7ULX
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![BU of 7ulx by Molmil](/molmil-images/mine/7ulx) | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7ULV
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![BU of 7ulv by Molmil](/molmil-images/mine/7ulv) | Human DDAH1 soaked with its inactivator S-((4-chloropyridin-2-yl)methyl)-L-cysteine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, S-[(pyridin-2-yl)methyl]-L-cysteine | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7W9P
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![BU of 7w9p by Molmil](/molmil-images/mine/7w9p) | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer) | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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7W9M
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![BU of 7w9m by Molmil](/molmil-images/mine/7w9m) | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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7W9L
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![BU of 7w9l by Molmil](/molmil-images/mine/7w9l) | Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-10 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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7W9T
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![BU of 7w9t by Molmil](/molmil-images/mine/7w9t) | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV alpha helix conformer) | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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7W9K
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![BU of 7w9k by Molmil](/molmil-images/mine/7w9k) | Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-09 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
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6O20
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![BU of 6o20 by Molmil](/molmil-images/mine/6o20) | Cryo-EM structure of TRPV5 with calmodulin bound | Descriptor: | CALCIUM ION, Calmodulin, Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-22 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O1N
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![BU of 6o1n by Molmil](/molmil-images/mine/6o1n) | Cryo-EM structure of TRPV5 (1-660) in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O1U
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![BU of 6o1u by Molmil](/molmil-images/mine/6o1u) | Cryo-EM structure of TRPV5 W583A in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O1P
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![BU of 6o1p by Molmil](/molmil-images/mine/6o1p) | Cryo-EM structure of full length TRPV5 in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6BQV
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![BU of 6bqv by Molmil](/molmil-images/mine/6bqv) | Human TRPM4 ion channel in lipid nanodiscs in a calcium-bound state | Descriptor: | CALCIUM ION, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | Deposit date: | 2017-11-28 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc. Science, 359, 2018
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6BQR
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![BU of 6bqr by Molmil](/molmil-images/mine/6bqr) | Human TRPM4 ion channel in lipid nanodiscs in a calcium-free state | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | Deposit date: | 2017-11-28 | Release date: | 2017-12-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc. Science, 359, 2018
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