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3H01
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BU of 3h01 by Molmil
Structure of the C-terminal Domain of a Putative HIV-1 gp41 Fusion Intermediate
Descriptor: Envelope glycoprotein gp160, HEXANE-1,6-DIOL
Authors:Liu, J.
Deposit date:2009-04-08
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of a putative gp41 dimerization domain in human immunodeficiency virus type 1 membrane fusion.
J.Virol., 84, 2010
3H00
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BU of 3h00 by Molmil
Structure of the C-terminal Domain of a Putative HIV-1 gp41 Fusion Intermediate
Descriptor: Envelope glycoprotein gp160
Authors:Liu, J.
Deposit date:2009-04-08
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of a putative gp41 dimerization domain in human immunodeficiency virus type 1 membrane fusion.
J.Virol., 84, 2010
6V2O
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BU of 6v2o by Molmil
HLA-B*57:01 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2Q
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BU of 6v2q by Molmil
HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V3J
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BU of 6v3j by Molmil
KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2P
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BU of 6v2p by Molmil
HLA-B*57:03 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
7K3D
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BU of 7k3d by Molmil
The structure of NTMT1 in complex with compound DC1-13
Descriptor: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, D, Huang, R, Noinaj, N.
Deposit date:2020-09-11
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1.
Acs Med.Chem.Lett., 12, 2021
5W4Q
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BU of 5w4q by Molmil
Structure of the R18A/E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4P
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BU of 5w4p by Molmil
Structure of the E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5W4O
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BU of 5w4o by Molmil
Structure of the R18A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
8JLJ
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BU of 8jlj by Molmil
T1AM-bound mTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLR
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BU of 8jlr by Molmil
A77636-bound hTAAR1-Gs protein complex
Descriptor: (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLN
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BU of 8jln by Molmil
T1AM-bound hTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLP
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BU of 8jlp by Molmil
Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex
Descriptor: 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLQ
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BU of 8jlq by Molmil
Fenoldopam-bound hTAAR1-Gs protein complex
Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSO
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BU of 8jso by Molmil
AMPH-bound hTAAR1-Gs protein complex
Descriptor: (2S)-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLK
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BU of 8jlk by Molmil
Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
4NSW
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BU of 4nsw by Molmil
Crystal structure of the BAR-PH domain of ACAP1
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
Authors:Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F.
Deposit date:2013-11-29
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A PH Domain in ACAP1 Possesses Key Features of the BAR Domain in Promoting Membrane Curvature
Dev.Cell, 31, 2014
8JLO
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BU of 8jlo by Molmil
Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSP
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BU of 8jsp by Molmil
Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
3ZXZ
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BU of 3zxz by Molmil
X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
Descriptor: 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
Deposit date:2011-08-16
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AOI
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BU of 4aoi by Molmil
Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
Descriptor: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
Deposit date:2012-03-27
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4AG8
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BU of 4ag8 by Molmil
CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)
Descriptor: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
Authors:McTigue, M, Wickersham, J, Pinko, C, Kania, R.S, Bender, S.
Deposit date:2012-01-24
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AP7
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BU of 4ap7 by Molmil
Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
Descriptor: 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Wickersham, J.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
Descriptor: 2H4 heavy chain, 2H4 light chain
Authors:Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018

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