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5AGK
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BU of 5agk by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid
Descriptor: (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGP
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BU of 5agp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGN
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BU of 5agn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGL
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BU of 5agl by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
Descriptor: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
Authors:Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
Deposit date:2019-07-25
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
7E2W
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BU of 7e2w by Molmil
Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II)
Descriptor: CITRATE ANION, GLYCEROL, ISOCITRIC ACID, ...
Authors:Zhu, G.P, Tang, W.G, Wang, P.
Deposit date:2021-02-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
Authors:Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
Deposit date:2019-07-19
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
2DO3
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BU of 2do3 by Molmil
Solution structure of the third KOW motif of transcription elongation factor SPT5
Descriptor: Transcription elongation factor SPT5
Authors:Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-27
Release date:2006-10-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the third KOW motif of transcription elongation factor SPT5
To be Published
2DO4
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BU of 2do4 by Molmil
Solution structure of the RNA binding domain of squamous cell carcinoma antigen recognized by T cells 3
Descriptor: Squamous cell carcinoma antigen recognized by T-cells 3
Authors:Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-27
Release date:2007-04-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the RNA binding domain of squamous cell carcinoma antigen recognized by T cells 3
To be Published
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
6VJQ
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BU of 6vjq by Molmil
Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313
Descriptor: Prochlorosin 2.1
Authors:Bobeica, S.C, van der Donk, W.A, Zhu, L.
Deposit date:2020-01-16
Release date:2020-07-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
Deposit date:2016-04-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.056 Å)
Cite:Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
Descriptor: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
Authors:Zhang, W, Zhang, L, Benner, S, Huang, Z.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
5COY
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BU of 5coy by Molmil
Crystal structure of CC chemokine 5 (CCL5)
Descriptor: C-C motif chemokine 5, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Liang, W.G, Tang, W.
Deposit date:2015-07-20
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
8DST
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BU of 8dst by Molmil
Cryo-EM of NBD-ffsy filaments (class 2)
Descriptor: NBD-ffsy peptide
Authors:Wang, F, Guo, J, Xu, B, Egelman, E.H.
Deposit date:2022-07-22
Release date:2023-05-31
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
5ZUV
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BU of 5zuv by Molmil
Crystal Structure of the Human Coronavirus 229E HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CHLORIDE ION, Spike glycoprotein,Spike glycoprotein,inhibitor EK1
Authors:Yan, L, Yang, B, Wilson, I.A.
Deposit date:2018-05-08
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike.
Sci Adv, 5, 2019
5ZVM
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BU of 5zvm by Molmil
Crystal Structure of the Human Coronavirus SARS HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: Spike glycoprotein, pan-CoV inhibitory peptide EK1
Authors:Yan, L, Yang, B, Wilson, I.A.
Deposit date:2018-05-11
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike.
Sci Adv, 5, 2019
5ZVK
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BU of 5zvk by Molmil
Crystal Structure of the Human Coronavirus MERS HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: Human Coronavirus MERS HR1 motif, pan-CoV inhibitory peptide EK1
Authors:Yan, L, Yang, B, Wilson, I.A.
Deposit date:2018-05-11
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike.
Sci Adv, 5, 2019
7FCZ
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BU of 7fcz by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Descriptor: N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2021-07-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7FD0
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BU of 7fd0 by Molmil
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Descriptor: N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2021-07-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
1XMZ
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BU of 1xmz by Molmil
Crystal structure of the dark state of kindling fluorescent protein kfp from anemonia sulcata
Descriptor: BETA-MERCAPTOETHANOL, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
Authors:Quillin, M.L, Anstrom, D.M, Shu, X, O'Leary, S, Kallio, K, Chudakov, D.M, Remington, S.J.
Deposit date:2004-10-04
Release date:2005-04-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Kindling Fluorescent Protein from Anemonia sulcata: Dark-State Structure at 1.38 Resolution
Biochemistry, 44, 2005
8FOF
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BU of 8fof by Molmil
Cryo-EM of BP-ffsy filaments
Descriptor: BP-ffsy
Authors:Wang, F, Guo, J, Egelman, E.H, Xu, B.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023

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