7KQ7
| Crystal structure of IL21R in complex with an antibody Fab fragment | Descriptor: | Antibody heavy chain, Antibody light chain, Interleukin-21 receptor | Authors: | Mosyak, L, Svenson, K. | Deposit date: | 2020-11-13 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Combining random mutagenesis, structure-guided design and next-generation sequencing to mitigate polyreactivity of an anti-IL-21R antibody. Mabs, 13, 2021
|
|
7JWV
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
7JWS
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
7JWW
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
7KDT
| |
1GBU
| DEOXY (BETA-(C93A,C112G)) HUMAN HEMOGLOBIN | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1996-01-04 | Release date: | 1997-01-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces. Biophys.J., 76, 1999
|
|
1FUN
| SUPEROXIDE DISMUTASE MUTANT WITH LYS 136 REPLACED BY GLU, CYS 6 REPLACED BY ALA AND CYS 111 REPLACED BY SER (K136E, C6A, C111S) | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | Authors: | Lo, T.P, Tainer, J.A, Getzoff, E.D. | Deposit date: | 1998-07-23 | Release date: | 1999-07-23 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Computational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human Cu,Zn superoxide dismutase. Proteins, 29, 1997
|
|
1E3Z
| Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-27 | Release date: | 2001-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
|
|
1E43
| Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.7A | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, SODIUM ION | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-27 | Release date: | 2001-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
|
|
7JHK
| Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 in unliganded form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hao, Y, Huang, X. | Deposit date: | 2020-07-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3436 Å) | Cite: | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis. J.Biol.Chem., 296, 2020
|
|
1FSC
| |
7JWT
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
1GBV
| (ALPHA-OXY, BETA-(C112G)DEOXY) T-STATE HUMAN HEMOGLOBIN | Descriptor: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vasquez, G.B, Ji, X, Pechik, I, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1995-12-20 | Release date: | 1997-01-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces. Biophys.J., 76, 1999
|
|
1CLS
| CROSS-LINKED HUMAN HEMOGLOBIN DEOXY | Descriptor: | HEMOGLOBIN, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ji, X, Fronticelli, C, Bucci, E, Gilliland, G.L. | Deposit date: | 1995-08-29 | Release date: | 1996-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin. Biochemistry, 35, 1996
|
|
7KUX
| The Structure of the moss PSI-LHCI reveals the evolution of the LHCI antenna | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Riddle, R, Gorski, C, Toporik, H, Dobson, Z, Da, Z, Williams, D, Mazor, Y. | Deposit date: | 2020-11-25 | Release date: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The structure of the Physcomitrium patens photosystem I reveals a unique Lhca2 paralogue replacing Lhca4. Nat.Plants, 8, 2022
|
|
7KSQ
| The Structure of the moss PSI-LHCI reveals the evolution of the LHCI antenna | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Riddle, R, Gorski, C, Toporik, H, Dobson, Z, Da, Z, Williams, D, Mazor, Y. | Deposit date: | 2020-11-23 | Release date: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The structure of the Physcomitrium patens photosystem I reveals a unique Lhca2 paralogue replacing Lhca4. Nat.Plants, 8, 2022
|
|
7LU7
| Human TDO (hTDO) in complex with NLG919 analog | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | Authors: | Yeh, S.-R. | Deposit date: | 2021-02-21 | Release date: | 2022-08-24 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase. J.Med.Chem., 2024
|
|
1FN8
| FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-08-21 | Release date: | 2001-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
|
|
7JWU
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
1FY5
| Fusarium oxysporum trypsin at atomic resolution | Descriptor: | GLY-ALA-LYS, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-09-28 | Release date: | 2001-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
|
|
1GDN
| FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-LYS, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-09-28 | Release date: | 2001-02-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
|
|
3AUQ
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2alpha-methyl-19-norvitamin D3 | Descriptor: | (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2011-02-15 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor J.Am.Chem.Soc., 133, 2011
|
|
1GDQ
| FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-09-28 | Release date: | 2001-02-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
|
|
7KMI
| LY-CoV481 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
|
|
1H14
| Structure of a cold-adapted family 8 xylanase | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J. | Deposit date: | 2002-07-02 | Release date: | 2003-03-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site J.Biol.Chem., 278, 2003
|
|