7PPA
 
 | | High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10 | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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1HVI
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1HVK
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1HVJ
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1HVL
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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7POJ
 | | Prodomain bound BMP10 crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPC
 | | Ternary signalling complex of BMP10 bound to ALK1 and BMPRII | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3 | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POI
 | | Prodomain bound BMP10 crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPB
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7X1M
 | | The complex structure of Omicron BA.1 RBD with BD604, S309,and S304 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ... | | Authors: | Huang, M, Xie, Y.F, Qi, J.X. | | Deposit date: | 2022-02-24 | | Release date: | 2022-07-06 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
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4Z7P
 | | X-ray structure of racemic ShK Q16K toxin | | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | | Authors: | Sickmier, E.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-09-09 | | Last modified: | 2015-09-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
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6KHO
 | | Crystal structure of Oryza sativa TDC with PLP | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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6KHN
 | | Crystal structure of Oryza sativa TDC with PLP and SEROTONIN | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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6K5M
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-05-29 | | Release date: | 2020-06-03 | | Last modified: | 2021-09-22 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6KHP
 | | Crystal structure of Oryza sativa TDC with PLP and tryptamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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1EER
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8D6F
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 | | Descriptor: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6C
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | | Descriptor: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6D
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | | Descriptor: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6E
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | | Descriptor: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8E3D
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11) | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2022-08-17 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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8E3E
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10) | | Descriptor: | DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2022-08-17 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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6M6O
 | | NMR SOLUTION STRUCTURE OF A C-FLIPs | | Descriptor: | CASP8 and FADD-like apoptosis regulator | | Authors: | Bai, Z.Q, Hu, K.F. | | Deposit date: | 2020-03-16 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of c-FLIP death effector domains.
Biochem.Biophys.Res.Commun., 617, 2022
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6O1S
 | | Structure of human plasma kallikrein protease domain with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-21 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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8R06
 | | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE | | Descriptor: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Offen, W.A, Davies, G.J, Breen, I.Z. | | Deposit date: | 2023-10-30 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
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