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6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
4J21
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BU of 4j21 by Molmil
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3L
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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
5L0Q
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BU of 5l0q by Molmil
Crystal structure of the complex between ADAM10 D+C domain and a conformation specific mAb 8C7.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Disintegrin and metalloproteinase domain-containing protein 10, MAGNESIUM ION, ...
Authors:Xu, K, Saha, N, Nikolov, D.B.
Deposit date:2016-07-28
Release date:2016-11-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.759 Å)
Cite:An activated form of ADAM10 is tumor selective and regulates cancer stem-like cells and tumor growth.
J.Exp.Med., 213, 2016
4J22
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BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4IUE
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BU of 4iue by Molmil
Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one
Descriptor: 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-21
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3M
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BU of 4j3m by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-06
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
7OL2
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BU of 7ol2 by Molmil
Crystal structure of mouse contactin 1 immunoglobulin domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, ...
Authors:Chataigner, L.M.P, Janssen, B.J.C.
Deposit date:2021-05-19
Release date:2022-12-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
7OL4
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BU of 7ol4 by Molmil
Mouse contactin-1 neurofascin-155 immunoglobulin domains adhesion complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, Neurofascin, ...
Authors:Chataigner, L.M.P, Janssen, B.J.C.
Deposit date:2021-05-19
Release date:2022-12-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (4.8 Å)
Cite:Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
7OK5
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BU of 7ok5 by Molmil
Crystal structure of mouse neurofascin 155 immunoglobulin domains
Descriptor: Neurofascin 155, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chataigner, L.M.P, Janssen, B.J.C.
Deposit date:2021-05-17
Release date:2022-12-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
6GRQ
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BU of 6grq by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B
Authors:Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
Deposit date:2018-06-12
Release date:2019-02-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
6GRS
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BU of 6grs by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B
Authors:Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
Deposit date:2018-06-12
Release date:2019-02-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
6GRT
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BU of 6grt by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
Deposit date:2018-06-12
Release date:2019-02-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.504 Å)
Cite:Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
8J07
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BU of 8j07 by Molmil
96nm repeat of human respiratory doublet microtubule and associated axonemal complexes
Descriptor: ACTA2, Axonemal dynein light intermediate polypeptide 1, Calaxin, ...
Authors:Gui, M, Brown, A.
Deposit date:2023-04-09
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Axonemal structures reveal mechanoregulatory and disease mechanisms.
Nature, 618, 2023
8IXA
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BU of 8ixa by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
Authors:Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
Deposit date:2023-03-31
Release date:2023-08-16
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IXB
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BU of 8ixb by Molmil
GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ...
Authors:Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y.
Deposit date:2023-03-31
Release date:2023-08-16
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
6V01
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BU of 6v01 by Molmil
structure of human KCNQ1-KCNE3-CaM complex with PIP2
Descriptor: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily E member 3, ...
Authors:Mackinnon, R, Sun, J.
Deposit date:2019-11-18
Release date:2019-12-04
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis of Human KCNQ1 Modulation and Gating.
Cell, 180, 2020
8J00
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BU of 8j00 by Molmil
Human KCNQ2-CaM in complex with CBD
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J03
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BU of 8j03 by Molmil
Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state I
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
Authors:Ma, D, Li, D, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J05
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BU of 8j05 by Molmil
Human KCNQ2-CaM complex in the presence of PIP2
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J04
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BU of 8j04 by Molmil
Human KCNQ2-CaM-HN37 complex in the presence of PIP2
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023

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