4MWE
 
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475) | | Descriptor: | 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MW9
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478) | | Descriptor: | 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MWB
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509) | | Descriptor: | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MW0
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MW6
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476) | | Descriptor: | 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.558 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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7VBT
 | | Crystal structure of RIOK2 in complex with CQ211 | | Descriptor: | 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2 | | Authors: | Zhu, C, Zhang, Z.M. | | Deposit date: | 2021-09-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.54001474 Å) | | Cite: | Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
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7K0K
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, 3KS-bound | | Descriptor: | 3-Dehydrosphinganine, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0O
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, class 3 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0J
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa protomer | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0Q
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, myriocin-bound | | Descriptor: | Myriocin, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0L
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, myriocin-bound | | Descriptor: | Myriocin, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0P
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, class 4 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0M
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, class 1 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0I
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7E8F
 | | SARS-CoV-2 NTD in complex with N9 Fab | | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | | Authors: | Du, S, Xiao, J, Zhang, Z. | | Deposit date: | 2021-03-01 | | Release date: | 2021-06-09 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
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7VA8
 | | Crystal structure of MiCGT | | Descriptor: | UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Zhong, L, Zhang, Z.M. | | Deposit date: | 2021-08-27 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85003233 Å) | | Cite: | Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Acs Catalysis, 11, 2021
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7VAA
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8JIO
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7E7Q
 | | Cryo-EM structure of human ABCA4 in ATP-bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Xie, T, Zhang, Z.K, Gong, X. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7E7I
 | | Cryo-EM structure of human ABCA4 in the apo state | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ... | | Authors: | Xie, T, Zhang, Z.K, Gong, X. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
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7W7Y
 | | The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | | Descriptor: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | | Authors: | Zhu, C, Zhang, Z.M. | | Deposit date: | 2021-12-06 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20003033 Å) | | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7W7X
 | | The crystal structure of human abl1 kinase domain in complex with ABL1-A11 | | Descriptor: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1 | | Authors: | Zhu, C, Zhang, Z.M. | | Deposit date: | 2021-12-06 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.0000093 Å) | | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7X8R
 | | Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex | | Descriptor: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W. | | Deposit date: | 2022-03-14 | | Release date: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7X8S
 | | Cryo-EM structure of the WB4-24-bound hGLP-1R-Gs complex | | Descriptor: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W. | | Deposit date: | 2022-03-14 | | Release date: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3L72
 | | Chicken cytochrome BC1 complex with kresoxim-I-dimethyl bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME B, ... | | Authors: | Huang, L, Zhang, Z, Berry, E.A. | | Deposit date: | 2009-12-27 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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