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8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
Descriptor: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2023-05-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
Authors:Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
Deposit date:2023-06-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PXV
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BU of 8pxv by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ...
Authors:Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXU
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BU of 8pxu by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: Beta-N-acetylhexosaminidase, CACODYLATE ION
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXT
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BU of 8pxt by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8R61
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BU of 8r61 by Molmil
Structure of IgE delta epsilon 3-4 in complex with a kappa binding nanobody
Descriptor: HMM5 IgE light chain, Immunoglobulin E VH-Ceps1-Ceps1, kappa binding nanobody
Authors:Andersen, G.R, Gandini, R.
Deposit date:2023-11-20
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The dynamics of hinge flexibility in receptor bound immunoglobulin E revealed by electron microscopy
Biorxiv, 2023
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8PVZ
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BU of 8pvz by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with cadmium
Descriptor: CADMIUM ION, Iron dependent repressor, putative
Authors:Mota, C, De Sanctis, D.
Deposit date:2023-07-18
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 2024
8QY4
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BU of 8qy4 by Molmil
Structure of interleukin 11 (gp130 P496L mutant).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ...
Authors:Gardner, S, Bubeck, D, Jin, Y.
Deposit date:2023-10-25
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structure of interleukin 11 (gp130 P496L mutant).
To Be Published
8QY5
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BU of 8qy5 by Molmil
Structure of interleukin 6.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6, ...
Authors:Gardner, S, Bubeck, D, Jin, Y.
Deposit date:2023-10-25
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of interleukin 6.
To Be Published
8QY6
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BU of 8qy6 by Molmil
Structure of interleukin 6 (gp130 P496L mutant).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6, ...
Authors:Gardner, S, Bubeck, D, Jin, Y.
Deposit date:2023-10-25
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure of interleukin 6 (gp130 P496L mutant).
To Be Published
8QI7
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BU of 8qi7 by Molmil
Cryo-EM Structure of Human Serine Hydroxymethyltransferase, isoform 2 (SHMT2)
Descriptor: Serine hydroxymethyltransferase, mitochondrial
Authors:Rutkiewicz, M, Tran, L.H, Ruszkowski, M.
Deposit date:2023-09-11
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:New Structural Models of SHMT2
To Be Published
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
Descriptor: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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BU of 8riw by Molmil
T2R-TTL-1-L01 complex
Descriptor: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8QZO
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BU of 8qzo by Molmil
Crystal structure of heterodimeric complex of CdpB1 and CdpB2 from A. fulgidus
Descriptor: PRC-barrel domain-containing protein
Authors:Ciziene, D, Bellini, D, Lowe, J.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division.
Nat Microbiol, 9, 2024
8QU4
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BU of 8qu4 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
Authors:Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
Authors:Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
Descriptor: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
Authors:Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
Deposit date:2017-12-18
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8B0W
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BU of 8b0w by Molmil
Galectin-1 in Complex with Ligand MG49
Descriptor: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
Authors:Grimm, C, Mut, J, Seibel, J.
Deposit date:2022-09-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Galectin-1 in Complex with Ligand MG49
To Be Published
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
Authors:Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
Deposit date:2022-08-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8B24
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BU of 8b24 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ...
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (4.53 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B22
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BU of 8b22 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 300-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B23
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BU of 8b23 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
Descriptor: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024

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数据于2024-06-26公开中

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