5Y0I
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![BU of 5y0i by Molmil](/molmil-images/mine/5y0i) | Solution structure of arenicin-3 derivative N1 | Descriptor: | NZ17074(N1) | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
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6N3H
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![BU of 6n3h by Molmil](/molmil-images/mine/6n3h) | Crystal structure of Kelch domain of the human NS1 binding protein | Descriptor: | Influenza virus NS1A-binding protein | Authors: | Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M. | Deposit date: | 2018-11-15 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6N34
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![BU of 6n34 by Molmil](/molmil-images/mine/6n34) | Crystal structure of the BTB domain of Human NS1-BP | Descriptor: | Influenza virus NS1A-binding protein | Authors: | Zhang, K, Shang, G, Padavannil, A, Fontoura, B, Chook, Y.M. | Deposit date: | 2018-11-14 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5GW0
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![BU of 5gw0 by Molmil](/molmil-images/mine/5gw0) | Crystal structure of SNX16 PX-Coiled coil | Descriptor: | Sorting nexin-16 | Authors: | Xu, J, Liu, J. | Deposit date: | 2016-09-08 | Release date: | 2017-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding. Structure, 25, 2017
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6NCN
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![BU of 6ncn by Molmil](/molmil-images/mine/6ncn) | Fragment-based Discovery of an apoE4 Stabilizer | Descriptor: | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2018-12-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer. J.Med.Chem., 62, 2019
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5GW1
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![BU of 5gw1 by Molmil](/molmil-images/mine/5gw1) | |
5Y0H
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![BU of 5y0h by Molmil](/molmil-images/mine/5y0h) | Solution structure of arenicin-3 derivative N6 | Descriptor: | N6 | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
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5Y0J
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![BU of 5y0j by Molmil](/molmil-images/mine/5y0j) | Solution structure of arenicin-3 derivative N2 | Descriptor: | N2 | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
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8J5X
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![BU of 8j5x by Molmil](/molmil-images/mine/8j5x) | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.09192252 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5W
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![BU of 8j5w by Molmil](/molmil-images/mine/8j5w) | The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28041458 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J61
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![BU of 8j61 by Molmil](/molmil-images/mine/8j61) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05065274 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J63
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![BU of 8j63 by Molmil](/molmil-images/mine/8j63) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.0005 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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6NCO
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![BU of 6nco by Molmil](/molmil-images/mine/6nco) | Fragment-based Discovery of an apoE4 Stabilizer | Descriptor: | 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E | Authors: | Jakob, C.G, Qiu, W. | Deposit date: | 2018-12-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer. J.Med.Chem., 62, 2019
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8J1V
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7LD3
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![BU of 7ld3 by Molmil](/molmil-images/mine/7ld3) | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A. | Deposit date: | 2021-01-12 | Release date: | 2021-09-08 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia. Nature, 597, 2021
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6NYP
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![BU of 6nyp by Molmil](/molmil-images/mine/6nyp) | Crystal structure of UL144/BTLA complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B- and T-lymphocyte attenuator, GLYCEROL, ... | Authors: | Aruna, B, Zajonc, D.M, Doukov, T. | Deposit date: | 2019-02-11 | Release date: | 2019-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of human cytomegalovirus UL144, an HVEM orthologue, bound to the B and T cell lymphocyte attenuator. J.Biol.Chem., 294, 2019
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7LD4
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![BU of 7ld4 by Molmil](/molmil-images/mine/7ld4) | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A. | Deposit date: | 2021-01-12 | Release date: | 2021-09-08 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia. Nature, 597, 2021
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5ZE3
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![BU of 5ze3 by Molmil](/molmil-images/mine/5ze3) | |
5ZOV
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![BU of 5zov by Molmil](/molmil-images/mine/5zov) | Inward-facing conformation of L-ascorbate transporter UlaA | Descriptor: | ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC | Authors: | Wang, J.W. | Deposit date: | 2018-04-16 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.333 Å) | Cite: | Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism Cell Discov, 4, 2018
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6OHT
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![BU of 6oht by Molmil](/molmil-images/mine/6oht) | Structure of EBP and U18666A | Descriptor: | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase, 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one | Authors: | Long, T, Li, X. | Deposit date: | 2019-04-06 | Release date: | 2019-06-19 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for human sterol isomerase in cholesterol biosynthesis and multidrug recognition. Nat Commun, 10, 2019
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6OT6
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![BU of 6ot6 by Molmil](/molmil-images/mine/6ot6) | Rat ERK2 D319N | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Taylor, C.A, Goldsmith, E.J, Cobb, M.H. | Deposit date: | 2019-05-02 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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7LUK
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![BU of 7luk by Molmil](/molmil-images/mine/7luk) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST | Descriptor: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma | Authors: | Sack, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. Acs Med.Chem.Lett., 12, 2021
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2N51
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6OHU
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![BU of 6ohu by Molmil](/molmil-images/mine/6ohu) | Structure of EBP and tamoxifen | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Long, T, Li, X. | Deposit date: | 2019-04-06 | Release date: | 2019-06-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.526 Å) | Cite: | Structural basis for human sterol isomerase in cholesterol biosynthesis and multidrug recognition. Nat Commun, 10, 2019
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7Y0W
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![BU of 7y0w by Molmil](/molmil-images/mine/7y0w) | Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ... | Authors: | Zhang, Z, Xiao, J. | Deposit date: | 2022-06-06 | Release date: | 2022-09-28 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents. Cell Rep, 41, 2022
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