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7P0F
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BU of 7p0f by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125
Descriptor: (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
Authors:Southall, S.M, Watson, S.P.
Deposit date:2021-06-29
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
7OZC
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BU of 7ozc by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, Arylsulfatase A, CALCIUM ION
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P26
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BU of 7p26 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
Descriptor: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
Authors:Cartmell, A.
Deposit date:2021-07-04
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZ8
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BU of 7oz8 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ACETATE ION, Choline-sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P24
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BU of 7p24 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3177_S1_11)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-07-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZA
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BU of 7oza by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_S1_16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZE
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BU of 7oze by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1624-S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Putative secreted sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZ9
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BU of 7oz9 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3057-S1_16)
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose, 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OXX
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BU of 7oxx by Molmil
CrabP2 mutant R30AK31A
Descriptor: Cellular retinoic acid-binding protein 2, SODIUM ION
Authors:Tomlinson, C.W.E, Basle, A, Pohl, E.
Deposit date:2021-06-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
7OXF
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BU of 7oxf by Molmil
Solution structure of bee apamin
Descriptor: Apamin
Authors:Mineev, K, Kuzmenkov, A, Vassilevski, A.
Deposit date:2021-06-22
Release date:2022-07-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Apamin structure and pharmacology revisited.
Front Pharmacol, 13, 2022
1YTN
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BU of 1ytn by Molmil
HYDROLASE
Descriptor: NITRATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE
Authors:Yuvaniyama, C, Fauman, E.B, Saper, M.A.
Deposit date:1996-05-01
Release date:1996-11-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications.
J.Biol.Chem., 271, 1996
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
Descriptor: ENDOTHIAPEPSIN, L363,564
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
5ER1
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BU of 5er1 by Molmil
A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
Descriptor: ENDOTHIAPEPSIN, methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
Authors:Cooper, J.B, Foundling, S.I, Blundell, T.L.
Deposit date:1990-11-07
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rational Approach to the Design of Antihypertensives. X-Ray Studies of Complexes between Aspartic Proteinases and Aminoalcohol Renin Inhibitors
Topics in Medicinal Chemistry, 1988
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
Descriptor: ENDOTHIAPEPSIN, H-256 peptide
Authors:Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
Deposit date:1990-10-13
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
Descriptor: ENDOTHIAPEPSIN, L364,099
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
7PQY
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BU of 7pqy by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FI-3A Fab heavy chain, FI-3A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PQZ
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BU of 7pqz by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PR0
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BU of 7pr0 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FD-5D Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7Q0A
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BU of 7q0a by Molmil
SARS-CoV-2 Spike ectodomain with Fab FI3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI3A fab Light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-10-14
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
1YTW
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BU of 1ytw by Molmil
YERSINIA PTPASE COMPLEXED WITH TUNGSTATE
Descriptor: SULFATE ION, TUNGSTATE(VI)ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE
Authors:Fauman, E.B, Schubert, H.L, Saper, M.A.
Deposit date:1996-05-01
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications.
J.Biol.Chem., 271, 1996
7PVJ
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BU of 7pvj by Molmil
Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with auranofin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L.
Deposit date:2021-10-04
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
7PUT
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BU of 7put by Molmil
Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L.
Deposit date:2021-09-30
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
7Z2P
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BU of 7z2p by Molmil
Tubulin-nocodazole complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Prota, A.E, Muehlethaler, T, Cavalli, A, Steinmetz, M.O.
Deposit date:2022-02-28
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents.
Eur.J.Med.Chem., 241, 2022

225399

數據於2024-09-25公開中

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