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7R0N
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BU of 7r0n by Molmil
KRasG12C in complex with GDP and compound 2
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0Q
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BU of 7r0q by Molmil
KRasG12C in complex with GDP and compound 3
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0M
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BU of 7r0m by Molmil
KRasG12C in complex with GDP and JDQ443
Descriptor: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7XRF
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BU of 7xrf by Molmil
Crystal structaure of DgpB/C complex
Descriptor: AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION
Authors:Ma, M, He, P.
Deposit date:2022-05-10
Release date:2023-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7XRE
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BU of 7xre by Molmil
Crystal structure of DgpA
Descriptor: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Ma, W, He, P.
Deposit date:2022-05-10
Release date:2023-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7XUY
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BU of 7xuy by Molmil
Crystal structure of 5-chloro-2-hydroxymuconate tautomerase CnbG
Descriptor: Tautomerase
Authors:Ma, H.L, Li, D.F.
Deposit date:2022-05-20
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural insights into the substrate specificity of 5-chloro-2-hydroxymuconate tautomerase CnbG.
Biochem.Biophys.Res.Commun., 620, 2022
7XR9
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BU of 7xr9 by Molmil
Crystal structure of DgpA with glucose
Descriptor: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose
Authors:Ma, W, He, P.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7U9C
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BU of 7u9c by Molmil
Crystal Structure of the wild type Escherichia coli Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Safo, M.K, Musayev, F.N.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7U9H
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BU of 7u9h by Molmil
Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
1OF2
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BU of 1of2 by Molmil
Crystal structure of HLA-B*2709 complexed with the vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ...
Authors:Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2003-04-04
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dual, Hla-B27 Subtype-Dependent Conformation of a Self-Peptide
J.Exp.Med., 199, 2004
8VL8
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BU of 8vl8 by Molmil
Salmonella enterica Typhimurium taxis to serine and repellents (Tsr) ligand-binding domain with L-Ser, pH 7
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, POTASSIUM ION, ...
Authors:Glenn, S, Baylink, A.
Deposit date:2024-01-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Serum is a Potent Chemoattractant for Enterobacteriaceae Species Associated with Gastrointestinal Bleeding
eLife, 2024
7ZLO
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BU of 7zlo by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLP
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BU of 7zlp by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9
Descriptor: Elongin-B, Elongin-C, PHOSPHATE ION, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLN
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BU of 7zln by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLS
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BU of 7zls by Molmil
co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLR
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BU of 7zlr by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLM
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BU of 7zlm by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
8AQ7
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BU of 8aq7 by Molmil
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9
Descriptor: 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-08-11
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
8AQ5
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BU of 8aq5 by Molmil
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16
Descriptor: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-08-11
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
Descriptor: SULFATE ION, spFv GLK1 LH
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
Descriptor: spFv CAT2200 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
Descriptor: spFv GLK1 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
Descriptor: SULFATE ION, spFv GLK2 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8BJ4
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BU of 8bj4 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in apo form
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
Authors:Rutkiewicz, M, Witek, W, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
8BJ1
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BU of 8bj1 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the open state
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
Authors:Rutkiewicz, M, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023

222624

數據於2024-07-17公開中

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