3OZP
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![BU of 3ozp by Molmil](/molmil-images/mine/3ozp) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with PUGNAc | Descriptor: | N-acetylglucosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | Authors: | Zhang, H, Liu, T, Liu, F, Shen, X, Yang, Q. | Deposit date: | 2010-09-27 | Release date: | 2011-08-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active-pocket size differentiating insectile from bacterial chitinolytic beta-N-acetyl-D-hexosaminidases Biochem.J., 438, 2011
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4KTC
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![BU of 4ktc by Molmil](/molmil-images/mine/4ktc) | NS3/NS4A protease with inhibitor | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2013-05-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease. J.Med.Chem., 57, 2014
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4KV1
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![BU of 4kv1 by Molmil](/molmil-images/mine/4kv1) | |
4E2P
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![BU of 4e2p by Molmil](/molmil-images/mine/4e2p) | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis | Descriptor: | Cytochrome P450 107B1 (P450CVIIB1), MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhang, H.D, Chen, J, Wang, H, Huang, L, Zhang, H.J. | Deposit date: | 2012-03-09 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis To be Published
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1C1J
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![BU of 1c1j by Molmil](/molmil-images/mine/1c1j) | STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | BASIC PHOSPHOLIPASE A2, CADMIUM ION, octyl beta-D-glucopyranoside | Authors: | Zhang, H.-l, Zhang, Y.-q, Song, S.-y, Zhou, Y, Lin, Z.-j. | Deposit date: | 1999-07-22 | Release date: | 2002-07-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Cadmium-substituted Phospholipase A2 from Agkistrodon halys
Pallas at 2.8 Angstroms Resolution Protein Pept.Lett., 6, 1999
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5GS5
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![BU of 5gs5 by Molmil](/molmil-images/mine/5gs5) | Crystal structure of apo rat STING | Descriptor: | SULFATE ION, Stimulator of interferon genes protein | Authors: | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | Deposit date: | 2016-08-13 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of apo ratSTING To Be Published
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4KVG
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![BU of 4kvg by Molmil](/molmil-images/mine/4kvg) | Crystal structure of RIAM RA-PH domains in complex with GTP bound Rap1 | Descriptor: | 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhang, H, Chang, Y.E, Brennan, M.L, Wu, J. | Deposit date: | 2013-05-22 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of Rap1 in complex with RIAM reveals specificity determinants and recruitment mechanism. J Mol Cell Biol, 6, 2014
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5NBG
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![BU of 5nbg by Molmil](/molmil-images/mine/5nbg) | |
5H21
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![BU of 5h21 by Molmil](/molmil-images/mine/5h21) | Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2016-10-13 | Release date: | 2017-07-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay. Medchemcomm, 8, 2017
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8YR2
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![BU of 8yr2 by Molmil](/molmil-images/mine/8yr2) | Structure of NET-Nisoxetine in outward-open state | Descriptor: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y91
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![BU of 8y91 by Molmil](/molmil-images/mine/8y91) | Structure of NET-nomifensine in outward-open state | Descriptor: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y92
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![BU of 8y92 by Molmil](/molmil-images/mine/8y92) | structure of NET-Atomoxetine in outward-open state | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y95
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![BU of 8y95 by Molmil](/molmil-images/mine/8y95) | Structure of NET-NE in Occluded state | Descriptor: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | Authors: | Zhang, H, Xu, H.E, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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5E09
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![BU of 5e09 by Molmil](/molmil-images/mine/5e09) | |
5GRM
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![BU of 5grm by Molmil](/molmil-images/mine/5grm) | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP) | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | Deposit date: | 2016-08-11 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP) To Be Published
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5ZGE
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![BU of 5zge by Molmil](/molmil-images/mine/5zge) | Crystal structure of NDM-1 at pH5.5 (Bis-Tris) in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-08 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
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4GGV
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![BU of 4ggv by Molmil](/molmil-images/mine/4ggv) | Crystal Structure of HmtT Involved in Himastatin Biosynthesis | Descriptor: | Cytochrome P450 superfamily protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Zhang, H, Chen, J, Wang, H, Zhang, H. | Deposit date: | 2012-08-07 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.331 Å) | Cite: | Structural analysis of HmtT and HmtN involved in the tailoring steps of himastatin biosynthesis Febs Lett., 587, 2013
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4KV4
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![BU of 4kv4 by Molmil](/molmil-images/mine/4kv4) | Brd4 Bromodomain 2 in Complex with Acetylated Rel Peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bromodomain-containing protein 4, Rel Peptide | Authors: | Zhang, H, Nair, S.K. | Deposit date: | 2013-05-22 | Release date: | 2013-06-26 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Brd4 maintains constitutively active NF-kappa B in cancer cells by binding to acetylated RelA. Oncogene, 33, 2014
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8Y90
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![BU of 8y90 by Molmil](/molmil-images/mine/8y90) | Structure of NET-Nefopam in outward-open state | Descriptor: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y93
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![BU of 8y93 by Molmil](/molmil-images/mine/8y93) | Structure of NET-Amitriptyline in outward-open state | Descriptor: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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5F1K
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![BU of 5f1k by Molmil](/molmil-images/mine/5f1k) | human CD38 in complex with nanobody MU1053 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053 | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2015-11-30 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Immuno-targeting the multifunctional CD38 using nanobody Sci Rep, 6, 2016
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5YAT
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![BU of 5yat by Molmil](/molmil-images/mine/5yat) | |
5F1O
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![BU of 5f1o by Molmil](/molmil-images/mine/5f1o) | human CD38 in complex with nanobody MU551 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551 | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2015-11-30 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Immuno-targeting the multifunctional CD38 using nanobody Sci Rep, 6, 2016
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5ZJ2
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![BU of 5zj2 by Molmil](/molmil-images/mine/5zj2) | Crystal structure of NDM-1 in complex with D-captopril | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-18 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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5ZIO
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![BU of 5zio by Molmil](/molmil-images/mine/5zio) | Crystal structure of NDM-1 in complex with L-captopril | Descriptor: | L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-16 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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