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7L5K
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BU of 7l5k by Molmil
Crystal structure of the DiB-RM protein
Descriptor: DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ...
Authors:Bozhanova, N.G, Harp, J.M, Meiler, J.
Deposit date:2020-12-22
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
7L3F
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BU of 7l3f by Molmil
T4 Lysozyme L99A - 4-iodotoluene - RT
Descriptor: 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
8GNK
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BU of 8gnk by Molmil
CryoEM structure of cytosol-facing, substrate-bound ratGAT1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ...
Authors:Nayak, S.R, Joseph, D, Penmatsa, A.
Deposit date:2022-08-24
Release date:2023-05-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism.
Nat.Struct.Mol.Biol., 30, 2023
7L3E
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BU of 7l3e by Molmil
T4 Lysozyme L99A - 3-iodotoluene - cryo
Descriptor: 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:Kallen, J.
Deposit date:2007-04-16
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
7L77
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BU of 7l77 by Molmil
Crystal structure of broadly HIV-1-neutralizing antibody VRC33.01
Descriptor: Heavy chain of VRC 33.01, Light chain of VRC33.01
Authors:Zhou, T, Kwong, P.D.
Deposit date:2020-12-27
Release date:2021-10-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Crystal structure of broadly HIV-1-neutralizing antibody
Cell Rep, 2021
8GFQ
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BU of 8gfq by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv32r inhibitor
Descriptor: 9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
2PQU
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BU of 2pqu by Molmil
Crystal structure of KH1 domain of human PCBP2 complexed to single-stranded 12-mer telomeric dna
Descriptor: 12-mer C-rich strand of human telomeric DNA, Poly(rC)-binding protein 2
Authors:James, T.L, Lee, J.
Deposit date:2007-05-02
Release date:2007-06-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:X-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2.
Rna, 13, 2007
7LAD
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BU of 7lad by Molmil
Clobetasol propionate bound to CYP3A5
Descriptor: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T.
Deposit date:2021-01-06
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
7L79
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BU of 7l79 by Molmil
Crystal structure of broadly HIV-1-neutralizing antibody VRC40.01
Descriptor: Heavy chain of VRC40.01, Light chain of VRC40.01, ZINC ION
Authors:Zhou, T, Kwong, P.D.
Deposit date:2020-12-27
Release date:2021-10-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.826 Å)
Cite:Crystal structure of broadly HIV-1-neutralizing antibody
Cell Rep, 2021
2PJY
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BU of 2pjy by Molmil
Structural basis for cooperative assembly of the TGF-beta signaling complex
Descriptor: TGF-beta receptor type-1, TGF-beta receptor type-2, Transforming growth factor beta-3
Authors:Groppe, J, Zubieta, C.
Deposit date:2007-04-16
Release date:2008-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cooperative assembly of TGF-beta superfamily signaling complexes is mediated by two disparate mechanisms and distinct modes of receptor binding.
Mol.Cell, 29, 2008
8H3N
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BU of 8h3n by Molmil
Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ...
Authors:Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
Deposit date:2022-10-09
Release date:2023-05-10
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
7L3D
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BU of 7l3d by Molmil
T4 Lysozyme L99A - 3-iodotoluene - RT
Descriptor: 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
2PK5
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BU of 2pk5 by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I ) in Complex with KNI-10075
Descriptor: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
Authors:Armstrong, A.A, Lafont, V, Kiso, Y, Freire, E, Amzel, L.M.
Deposit date:2007-04-17
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Compensating enthalpic and entropic changes hinder binding affinity optimization.
Chem.Biol.Drug Des., 69, 2007
7L3I
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BU of 7l3i by Molmil
T4 Lysozyme L99A - propylbenzene - RT
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ...
Authors:Fischer, M, Bradford, S.Y.C.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
8GOT
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BU of 8got by Molmil
Crystal structure of wild-type protease 3C from Seneca Valley Virus
Descriptor: GLYCEROL, Peptidase C3, [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate
Authors:Zhao, H.F, Zhang, H.
Deposit date:2022-08-25
Release date:2023-05-24
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Allosteric regulation of Senecavirus A 3Cpro proteolytic activity by an endogenous phospholipid.
Plos Pathog., 19, 2023
2PR5
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BU of 2pr5 by Molmil
Structural Basis for Light-dependent Signaling in the Dimeric LOV Photosensor YtvA (Dark Structure)
Descriptor: ACETIC ACID, Blue-light photoreceptor, FLAVIN MONONUCLEOTIDE, ...
Authors:Moglich, A, Moffat, K.
Deposit date:2007-05-03
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for Light-dependent Signaling in the Dimeric LOV Domain of the Photosensor YtvA.
J.Mol.Biol., 373, 2007
2PS0
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BU of 2ps0 by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
Descriptor: High-affinity zinc uptake system protein znuA, ZINC ION
Authors:Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
Deposit date:2007-05-04
Release date:2007-06-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
8GB8
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BU of 8gb8 by Molmil
Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
7LEW
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BU of 7lew by Molmil
Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1
Descriptor: Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2
Authors:Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X.
Deposit date:2021-01-15
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.736 Å)
Cite:A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation.
Plos Biol., 19, 2021
8GFG
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BU of 8gfg by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7912 inhibitor
Descriptor: (3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8GFH
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BU of 8gfh by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7285 inhibitor soaked at 10 mM concentration
Descriptor: CITRIC ACID, Lytic transglycosylase domain-containing protein, [(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
8H56
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BU of 8h56 by Molmil
Crystal structure of Rep' of porcine circovirus type 2
Descriptor: Isoform Rep' of Replication-associated protein
Authors:Guan, S.Y, Song, Y.F.
Deposit date:2022-10-12
Release date:2023-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of the dimerized of porcine circovirus type II replication-related protein Rep'.
Proteins, 91, 2023
8GFD
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BU of 8gfd by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3252 inhibitor
Descriptor: 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
7LFU
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BU of 7lfu by Molmil
Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR250
Descriptor: Papain-like protease peptide inhibitor VIR250, papain-like protease
Authors:Olsen, S.K, Lv, Z.
Deposit date:2021-01-18
Release date:2021-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease.
Cell Rep, 36, 2021

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数据于2025-10-15公开中

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