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6WWT
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BU of 6wwt by Molmil
Apo KIF14[391-735] in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWH
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BU of 6wwh by Molmil
KIF14[391-772] dimer two-heads-bound state - AMP-PNP in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWG
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BU of 6wwg by Molmil
KIF14[391-772] dimer two-heads-bound state - ADP-AlFx in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWL
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BU of 6wwl by Molmil
KIF14[391-755] dimer two-heads-bound state - AMP-PNP in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWK
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BU of 6wwk by Molmil
KIF14[391-755] dimer two-heads-bound state - ADP-AlFx in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWU
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BU of 6wwu by Molmil
KIF14[391-735] - ADP-AlFx in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H.
Deposit date:2020-05-09
Release date:2021-05-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
6WWZ
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BU of 6wwz by Molmil
Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
Descriptor: C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
Deposit date:2020-05-09
Release date:2020-06-24
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
6Z08
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BU of 6z08 by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol
Descriptor: P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
Deposit date:2020-05-08
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6WW6
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BU of 6ww6 by Molmil
Crystal structure of EutV bound to RNA
Descriptor: BERYLLIUM TRIFLUORIDE ION, Response regulator, eutP P2
Authors:Ataide, S.F, Walshe, J.L.
Deposit date:2020-05-07
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural characterization of the ANTAR antiterminator domain bound to RNA.
Nucleic Acids Res., 50, 2022
7C2G
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BU of 7c2g by Molmil
Crystal Structure of the Thorarchaeota 2DGel/rabbit actin complex
Descriptor: 2DGel3, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the evolution of regulated actin dynamics via characterization of primitive gelsolin/cofilin proteins from Asgard archaea
Proc.Natl.Acad.Sci.USA, 117, 2020
7C2B
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BU of 7c2b by Molmil
Crystal structure of ferredoxin: thioredoxin reductase and thioredoxin f2 complex
Descriptor: Ferredoxin-thioredoxin reductase catalytic chain, chloroplastic, Ferredoxin-thioredoxin reductase variable chain, ...
Authors:Kurisu, G, Juniar, L, Tanaka, H.
Deposit date:2020-05-07
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7949 Å)
Cite:Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
7C2H
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BU of 7c2h by Molmil
Crystal Structure of the Thorarchaeota 2DGel3/rabbit actin complex
Descriptor: 2DGel3, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Insights into the evolution of regulated actin dynamics via characterization of primitive gelsolin/cofilin proteins from Asgard archaea
Proc.Natl.Acad.Sci.USA, 117, 2020
7C2F
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BU of 7c2f by Molmil
Crystal Structure of the Thorarchaeota ProGel/rabbit actin complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Insights into the evolution of regulated actin dynamics via characterization of primitive gelsolin/cofilin proteins from Asgard archaea
Proc.Natl.Acad.Sci.USA, 117, 2020
6WW0
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BU of 6ww0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog
Descriptor: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-05-07
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
7C2E
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BU of 7c2e by Molmil
GLP-1R-Gs complex structure with a small molecule full agonist
Descriptor: 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E.
Deposit date:2020-05-07
Release date:2020-08-26
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the activation of GLP-1R by a small molecule agonist.
Cell Res., 30, 2020
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2020-05-07
Release date:2021-05-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
6WVT
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BU of 6wvt by Molmil
Structural basis of alphaE-catenin - F-actin catch bond behavior
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Xu, X.P, Pokutta, S, Torres, M, Swift, M.F, Hanein, D, Volkmann, N, Weis, W.I.
Deposit date:2020-05-06
Release date:2020-10-07
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of alpha E-catenin-F-actin catch bond behavior.
Elife, 9, 2020
6WVM
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BU of 6wvm by Molmil
High curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
Deposit date:2020-05-06
Release date:2020-05-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WVL
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BU of 6wvl by Molmil
Low curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
Deposit date:2020-05-06
Release date:2020-05-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YZ4
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BU of 6yz4 by Molmil
Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site
Descriptor: 1,2-ETHANEDIOL, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-06
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YZC
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BU of 6yzc by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYX
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BU of 6yyx by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021

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PDB entries from 2024-08-14

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