7V57
 
 | | Structure of AdaV | | Descriptor: | 2-OXOGLUTARIC ACID, AdaV, CHLORIDE ION, ... | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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7V54
 | | Structure of AdaV | | Descriptor: | AdaV, FE (III) ION | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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7V56
 | | Structure of AdaV | | Descriptor: | AdaV, FE (III) ION | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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7V7X
 | | Structure of H194A AdaV | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, AdaV | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-08-22 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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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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7CM5
 | | Full-length Sarm1 in a self-inhibited state | | Descriptor: | NAD(+) hydrolase SARM1 | | Authors: | Zhang, Z, Jiang, Y. | | Deposit date: | 2020-07-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
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7WZ9
 | | HSA-In agent complex | | Descriptor: | 16-chloranyl-~{N},~{N}-dimethyl-15-thia-1$l^{4},12$l^{4},13-triaza-16$l^{4}-indatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-1,3,5,7,9,11,13-heptaen-14-amine, PALMITIC ACID, Serum albumin | | Authors: | Zhang, Z.L, Yang, F. | | Deposit date: | 2022-02-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure of HSA-In agent complex
To Be Published
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7Y2D
 | | HSA-Cu agent complex | | Descriptor: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine, PALMITIC ACID, Serum albumin | | Authors: | Zhang, Z.L, Yang, F. | | Deposit date: | 2022-06-09 | | Release date: | 2023-07-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HSA-Cu agent complex
To Be Published
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7XME
 | | Structure of Influenza A virus polymerase basic protein 2 (PB2) with an azazindole derivative | | Descriptor: | (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, IODIDE ION, Polymerase basic protein 2 | | Authors: | Zhang, Z. | | Deposit date: | 2022-04-25 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.521 Å) | | Cite: | Discovery of a novel azaindole derivatives targeting the influenza PB2 cap binding region
To Be Published
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1DRY
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE | | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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1DS1
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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1DRT
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID | | Descriptor: | 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ... | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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5WRO
 | | Crystal structure of Drosophila enolase | | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Zhang, Z, Shi, Z. | | Deposit date: | 2016-12-02 | | Release date: | 2017-04-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Crystal structure of enolase from Drosophila melanogaster.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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1DS0
 | | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE | | Descriptor: | ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION | | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | | Deposit date: | 2000-01-06 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
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8K3J
 | | Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-2, ... | | Authors: | Zhang, Z.Z. | | Deposit date: | 2023-07-16 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
To Be Published
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8K1W
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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
 | | 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
 | | 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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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | Deposit date: | 2020-11-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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8RM5
 | | Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2024-01-05 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
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7WRL
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7WRZ
 | | Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ... | | Authors: | Zhang, Z.Z, Xiao, J.J. | | Deposit date: | 2022-01-28 | | Release date: | 2022-06-22 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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8JGD
 | | GDP-bound KRAS G12C in complex with YK-8S | | Descriptor: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Z.M, Wang, R.L. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.60037053 Å) | | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
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8JHL
 | | GDP-bound KRAS G12D in complex with YK-8S | | Descriptor: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | | Authors: | Zhang, Z.M, Wang, R.L. | | Deposit date: | 2023-05-23 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.10004044 Å) | | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
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