7R0N
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![BU of 7r0n by Molmil](/molmil-images/mine/7r0n) | 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
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7R0Q
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![BU of 7r0q by Molmil](/molmil-images/mine/7r0q) | 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
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7R0M
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![BU of 7r0m by Molmil](/molmil-images/mine/7r0m) | 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
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7XRF
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![BU of 7xrf by Molmil](/molmil-images/mine/7xrf) | 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
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7XRE
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![BU of 7xre by Molmil](/molmil-images/mine/7xre) | 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
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7XUY
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![BU of 7xuy by Molmil](/molmil-images/mine/7xuy) | |
7XR9
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![BU of 7xr9 by Molmil](/molmil-images/mine/7xr9) | 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
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7U9C
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![BU of 7u9c by Molmil](/molmil-images/mine/7u9c) | 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
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7U9H
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![BU of 7u9h by Molmil](/molmil-images/mine/7u9h) | 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
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1OF2
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![BU of 1of2 by Molmil](/molmil-images/mine/1of2) | 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
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8VL8
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![BU of 8vl8 by Molmil](/molmil-images/mine/8vl8) | |
7ZLO
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![BU of 7zlo by Molmil](/molmil-images/mine/7zlo) | 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
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7ZLP
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![BU of 7zlp by Molmil](/molmil-images/mine/7zlp) | 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
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7ZLN
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![BU of 7zln by Molmil](/molmil-images/mine/7zln) | 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
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7ZLS
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![BU of 7zls by Molmil](/molmil-images/mine/7zls) | 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
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7ZLR
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![BU of 7zlr by Molmil](/molmil-images/mine/7zlr) | 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
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7ZLM
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![BU of 7zlm by Molmil](/molmil-images/mine/7zlm) | 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
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8AQ7
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![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | 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
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8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | 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
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8DY2
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![BU of 8dy2 by Molmil](/molmil-images/mine/8dy2) | 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
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8DY4
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![BU of 8dy4 by Molmil](/molmil-images/mine/8dy4) | 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
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8DY0
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![BU of 8dy0 by Molmil](/molmil-images/mine/8dy0) | 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
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8DY3
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![BU of 8dy3 by Molmil](/molmil-images/mine/8dy3) | 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
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8BJ4
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![BU of 8bj4 by Molmil](/molmil-images/mine/8bj4) | 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
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8BJ1
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![BU of 8bj1 by Molmil](/molmil-images/mine/8bj1) | 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
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