3KN0
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![BU of 3kn0 by Molmil](/molmil-images/mine/3kn0) | Structure of BACE bound to SCH708236 | Descriptor: | 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Wang, Y. | Deposit date: | 2009-11-11 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
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1FB9
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1G5J
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![BU of 1g5j by Molmil](/molmil-images/mine/1g5j) | COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD | Descriptor: | APOPTOSIS REGULATOR BCL-X, BAD PROTEIN | Authors: | Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W. | Deposit date: | 2000-11-01 | Release date: | 2001-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies. Protein Sci., 9, 2000
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7WSB
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![BU of 7wsb by Molmil](/molmil-images/mine/7wsb) | The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B | Descriptor: | 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | Authors: | Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. | Deposit date: | 2022-01-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues. Jacs Au, 2, 2022
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5D8Q
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![BU of 5d8q by Molmil](/molmil-images/mine/5d8q) | 2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa | Descriptor: | ARSENIC, Ferroxidase, MAGNESIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5D8O
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![BU of 5d8o by Molmil](/molmil-images/mine/5d8o) | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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8YU9
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![BU of 8yu9 by Molmil](/molmil-images/mine/8yu9) | Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of tubulin-RB3-TTL in complex with compound AB10 To Be Published
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8YTX
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![BU of 8ytx by Molmil](/molmil-images/mine/8ytx) | Tubulin-RB3-TTL in complex with compound SI9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-26 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Tubulin-RB3-TTL in complex with compound SI9 To Be Published
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8YUA
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![BU of 8yua by Molmil](/molmil-images/mine/8yua) | Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The complex structure of tubulin-RB3-TTL in complex with compound SI10 To Be Published
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6J0N
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![BU of 6j0n by Molmil](/molmil-images/mine/6j0n) | Cryo-EM Structure of an Extracellular Contractile Injection System, baseplate in extended state, refined in C6 symmetry | Descriptor: | Pvc1, Pvc11, Pvc12, ... | Authors: | Jiang, F, Li, N, Wang, X, Cheng, J, Huang, Y, Yang, Y, Yang, J, Cai, B, Wang, Y, Jin, Q, Gao, N. | Deposit date: | 2018-12-25 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structure and Assembly of an Extracellular Contractile Injection System. Cell, 177, 2019
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7F0A
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7F0B
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![BU of 7f0b by Molmil](/molmil-images/mine/7f0b) | Crystal structure of capreomycin phosphotransferase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7F0F
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![BU of 7f0f by Molmil](/molmil-images/mine/7f0f) | Crystal structure of capreomycin phosphotransferase in complex with CMN IIB | Descriptor: | Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7F0C
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![BU of 7f0c by Molmil](/molmil-images/mine/7f0c) | Crystal structure of capreomycin phosphotransferase in complex with CMN IIA | Descriptor: | Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7SPR
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6JFU
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![BU of 6jfu by Molmil](/molmil-images/mine/6jfu) | Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target strand, ... | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-12 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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6KC7
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![BU of 6kc7 by Molmil](/molmil-images/mine/6kc7) | Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in seed-base paring state | Descriptor: | CRISPR-associated endonuclease Cas9, DNA (5'-D(*AP*TP*AP*TP*GP*AP*TP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*AP*TP*CP*AP*TP*AP*TP*GP*TP*AP*AP*AP*GP*TP*T)-3'), ... | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-06-27 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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6D6V
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![BU of 6d6v by Molmil](/molmil-images/mine/6d6v) | CryoEM structure of Tetrahymena telomerase with telomeric DNA at 4.8 Angstrom resolution | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*G)-3'), RNA (159-MER), Telomerase associated protein p65, ... | Authors: | Jiang, J, Wang, Y, Susac, L, Chan, H, Basu, R, Zhou, Z.H, Feigon, J. | Deposit date: | 2018-04-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure of Telomerase with Telomeric DNA. Cell, 173, 2018
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6KH3
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![BU of 6kh3 by Molmil](/molmil-images/mine/6kh3) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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6KH5
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![BU of 6kh5 by Molmil](/molmil-images/mine/6kh5) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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2AYR
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![BU of 2ayr by Molmil](/molmil-images/mine/2ayr) | A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats | Descriptor: | 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor | Authors: | Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A. | Deposit date: | 2005-09-07 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats J.Med.Chem., 48, 2005
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7VFV
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![BU of 7vfv by Molmil](/molmil-images/mine/7vfv) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFU
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![BU of 7vfu by Molmil](/molmil-images/mine/7vfu) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFW
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![BU of 7vfw by Molmil](/molmil-images/mine/7vfw) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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7VFS
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![BU of 7vfs by Molmil](/molmil-images/mine/7vfs) | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | Deposit date: | 2021-09-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2. Cell Rep, 37, 2021
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