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4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBK
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BU of 4nbk by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4PHW
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BU of 4phw by Molmil
Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone
Descriptor: 1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-05-07
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-(4-(3-(4-(1H-Benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), A Potent, Selective, and Efficacious Inhibitor of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 57, 2014
1EMY
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BU of 1emy by Molmil
CRYSTAL STRUCTURE OF ASIAN ELEPHANT (ELEPHAS MAXIMUS) CYANO-MET MYOGLOBIN AT 1.78 ANGSTROMS RESOLUTION. PHE 29 (B10) ACCOUNTS FOR ITS UNUSUAL LIGAND BINDING PROPERTIES
Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bisig, D.A, Piontek, K.
Deposit date:1995-02-22
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Asian elephant (Elephas maximus) cyano-metmyoglobin at 1.78-A resolution. Phe29(B10) accounts for its unusual ligand binding properties.
J.Biol.Chem., 270, 1995
7N2O
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BU of 7n2o by Molmil
AS4.2-YEIH-HLA*B27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, GLYCEROL, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
7N2Q
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BU of 7n2q by Molmil
AS4.3-YEIH-HLA*B27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AS4.3 T cell receptor alpha chain, AS4.3 T cell receptor beta chain, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
7N2S
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BU of 7n2s by Molmil
AS3.1-PRPF3-HLA*B27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, GLYCEROL, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
7N2R
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BU of 7n2r by Molmil
AS4.3-PRPF3-HLA*B27
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, AS4.3 T cell receptor alpha chain, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
7N2N
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BU of 7n2n by Molmil
TCR-antigen complex AS4.2-PRPF3-HLA*B27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, GLYCEROL, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
7N2P
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BU of 7n2p by Molmil
AS4.3-RNASEH2b-HLA*B27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AS4.3 T cell receptor alpha chain, AS4.3 T cell receptor beta chain, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2021-05-29
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
6J0W
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BU of 6j0w by Molmil
Crystal Structure of Yeast Rtt107 and Nse6
Descriptor: Peptide from DNA repair protein KRE29, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0V
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BU of 6j0v by Molmil
Crystal Structure of Yeast Rtt107
Descriptor: Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0Y
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BU of 6j0y by Molmil
Crystal Structure of Yeast Rtt107 and Slx4
Descriptor: Peptide from Structure-specific endonuclease subunit SLX4, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0X
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BU of 6j0x by Molmil
Crystal Structure of Yeast Rtt107 and Mms22
Descriptor: Peptide from E3 ubiquitin-protein ligase substrate receptor MMS22, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6JZZ
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BU of 6jzz by Molmil
The crystal structure of AAR-C294S in complex with ADO.
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ...
Authors:Zhang, H.M, Li, M, Gao, Y.
Deposit date:2019-05-04
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
6JZY
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BU of 6jzy by Molmil
Crystal structure of AAR with NADPH and stearyl in complex with ADO binding a long chain carbohydrate
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ...
Authors:Zhang, H.M, Li, M, Gao, Y.
Deposit date:2019-05-04
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
6JZQ
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BU of 6jzq by Molmil
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR)
Descriptor: Long-chain acyl-[acyl-carrier-protein] reductase
Authors:Zhang, H.M, Li, M, Gao, Y.
Deposit date:2019-05-03
Release date:2020-04-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
6JZU
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BU of 6jzu by Molmil
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR) in complex with aldehyde deformylating oxygenase (ADO)
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ...
Authors:Zhang, H.M, Li, M, Gao, Y.
Deposit date:2019-05-03
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
3ZPM
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BU of 3zpm by Molmil
Solution structure of latherin
Descriptor: LATHERIN
Authors:Vance, S.J, MacDonald, R.E, Cooper, A, Kennedy, M.W, Smith, B.O.
Deposit date:2013-02-28
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure of latherin, a surfactant allergen protein from horse sweat and saliva.
J R Soc Interface, 10, 2013
7DTC
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BU of 7dtc by Molmil
voltage-gated sodium channel Nav1.5-E1784K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 5 subunit alpha
Authors:Yan, N, Pan, X, Li, Z.
Deposit date:2021-01-04
Release date:2021-03-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human Na v 1.5 reveals the fast inactivation-related segments as a mutational hotspot for the long QT syndrome.
Proc.Natl.Acad.Sci.USA, 118, 2021
4JV7
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BU of 4jv7 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
Descriptor: (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVR
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BU of 4jvr by Molmil
Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Descriptor: (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-26
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVE
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BU of 4jve by Molmil
Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Descriptor: (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JV9
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BU of 4jv9 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
Descriptor: (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
7YPE
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BU of 7ype by Molmil
Crystal structure of AsfvPCNA in space group of P63
Descriptor: E301R, GLYCEROL
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023

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