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8GD3
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BU of 8gd3 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8TGB
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BU of 8tgb by Molmil
Crystal structure of root lateral formation protein (RLF) b5-domain from Oryza sativa
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, root lateral formation protein (RLF)
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Benson, D.R.
Deposit date:2023-07-12
Release date:2023-12-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The N-terminal intrinsically disordered region of Ncb5or docks with the cytochrome b 5 core to form a helical motif that is of ancient origin.
Proteins, 92, 2024
8G5G
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BU of 8g5g by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2022-12-30
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4X
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BU of 8g4x by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5F
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BU of 8g5f by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4O
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BU of 8g4o by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with didesethylflurazepam and endogenous GABA
Descriptor: (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5H
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BU of 8g5h by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2023-02-13
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
1O7T
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BU of 1o7t by Molmil
Metal nanoclusters bound to the Ferric Binding Protein from Neisseria gonorrhoeae.
Descriptor: HF OXO CLUSTER HF5, HF-OXO-PHOSPHATE CLUSTER PHF, IRON BINDING PROTEIN, ...
Authors:Alexeev, D, Zu, H, Guo, M, Zhong, W, Hunter, D.J.B, Yang, W, Campopiano, D.J, Sadler, P.J.
Deposit date:2002-11-12
Release date:2003-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A novel protein-mineral interface.
Nat. Struct. Biol., 10, 2003
3EQG
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BU of 3eqg by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQD
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BU of 3eqd by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P
Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQI
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BU of 3eqi by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQC
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BU of 3eqc by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P
Descriptor: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQF
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BU of 3eqf by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P
Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQH
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BU of 3eqh by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P
Descriptor: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3P43
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BU of 3p43 by Molmil
Structure and Activities of Archaeal Members of the LigD 3' Phosphoesterase DNA Repair Enzyme Superfamily
Descriptor: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Smith, P, Nair, P.A, Das, U, Shuman, S.
Deposit date:2010-10-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Nucleic Acids Res., 39, 2011
4ANL
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BU of 4anl by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2012-03-20
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4ANQ
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BU of 4anq by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2012-03-21
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
8VKZ
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BU of 8vkz by Molmil
Crystal structure of Glucocorticoid Receptor in complex with an inhibitor
Descriptor: (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2024-01-10
Release date:2024-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties
Rsc Med Chem, 15, 2024
6PXD
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BU of 6pxd by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor, Apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycine receptor subunit alphaZ1
Authors:Du, J, Lu, W, Gouaux, E.
Deposit date:2019-07-25
Release date:2021-02-10
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
8D55
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BU of 8d55 by Molmil
Closed state of SARS-CoV-2 BA.2 variant spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D56
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BU of 8d56 by Molmil
One RBD-up state of SARS-CoV-2 BA.2 variant spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
2ZI8
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BU of 2zi8 by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis in complex with 3,4-dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9,17-dione (DHSA)
Descriptor: 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
Authors:D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
Deposit date:2008-02-13
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009
2ZYQ
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BU of 2zyq by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis
Descriptor: D(-)-TARTARIC ACID, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
Authors:D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
Deposit date:2009-01-28
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009
4CIM
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BU of 4cim by Molmil
Complex of a Bcl-w BH3 mutant with a BH3 domain
Descriptor: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014

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