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8GS8
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BU of 8gs8 by Molmil
cryo-EM structure of the human respiratory complex II
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Du, Z, Zhou, X, Lai, Y, Xu, J, Zhang, Y, Zhou, S, Liu, F, Gao, Y, Gong, H, Rao, Z.
Deposit date:2022-09-05
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structure of the human respiratory complex II.
Proc.Natl.Acad.Sci.USA, 120, 2023
4U44
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BU of 4u44 by Molmil
MAP4K4 in complex with inhibitor (compound 16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U3Z
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BU of 4u3z by Molmil
APO MAP4K4 T181E Phosphomimetic Mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2016-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U43
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BU of 4u43 by Molmil
MAP4K4 in complex with inhibitor (compound 6)
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4U40
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BU of 4u40 by Molmil
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2016-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U42
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BU of 4u42 by Molmil
MAP4K4 T181E Mutant Bound to inhibitor compound 1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2016-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U3Y
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BU of 4u3y by Molmil
Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2016-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U41
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BU of 4u41 by Molmil
MAP4K4 Bound to inhibitor compound 1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2016-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
4U45
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BU of 4u45 by Molmil
MAP4K4 in complex with inhibitor (compound 25)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-07-23
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
5EG3
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BU of 5eg3 by Molmil
Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma)
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
Authors:Huang, Z, Li, X, Mohammadi, M.
Deposit date:2015-10-26
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase C gamma.
Mol.Cell, 61, 2016
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
Deposit date:2018-11-17
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
6UM5
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BU of 6um5 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
7X1G
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BU of 7x1g by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state at pH 5.5
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
6UM6
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BU of 6um6 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270.6 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunder, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
6UM7
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BU of 6um7 by Molmil
Cryo-EM structure of vaccine-elicited HIV-1 neutralizing antibody DH270.mu1 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH270.mu1 Fab Heavy Chain, DH270.mu1 Fab Light chain, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
7X1H
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BU of 7x1h by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state with R125H mutation
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
7X1J
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BU of 7x1j by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
7X1I
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BU of 7x1i by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
6UPU
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BU of 6upu by Molmil
Crystal structure of the Orientia tsutsugamushi OtDUB in complex with three molecules of ubiquitin
Descriptor: ULP_PROTEASE domain-containing protein, Ubiquitin
Authors:Lim, C.S, Ronau, J.A, Xiong, Y.
Deposit date:2019-10-18
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
6UWU
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BU of 6uwu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516
Descriptor: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4
Authors:Leonard, P.G, Joseph, S.
Deposit date:2019-11-05
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
6UPS
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BU of 6ups by Molmil
Crystal structure of the deubiquitylase domain from the Orientia tsutsugamushi protein OTT_1962 (OtDUB)
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Ronau, J.A, Lim, C.S, Xiong, Y.
Deposit date:2019-10-18
Release date:2020-04-01
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
7XDY
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BU of 7xdy by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDW
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BU of 7xdw by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDV
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BU of 7xdv by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDX
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BU of 7xdx by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023

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