5QCN
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![BU of 5qcn by Molmil](/molmil-images/mine/5qcn) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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7WMM
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![BU of 7wmm by Molmil](/molmil-images/mine/7wmm) | alpha-synuclein fibril-F0502B complex | Descriptor: | 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol, Alpha-synuclein | Authors: | Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D. | Deposit date: | 2022-01-15 | Release date: | 2023-01-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | alpha-synuclein fibril-F0502B complex To Be Published
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7UAK
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![BU of 7uak by Molmil](/molmil-images/mine/7uak) | |
7XO2
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![BU of 7xo2 by Molmil](/molmil-images/mine/7xo2) | |
7XO1
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![BU of 7xo1 by Molmil](/molmil-images/mine/7xo1) | |
7XO0
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![BU of 7xo0 by Molmil](/molmil-images/mine/7xo0) | |
7XO3
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![BU of 7xo3 by Molmil](/molmil-images/mine/7xo3) | |
7XJX
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![BU of 7xjx by Molmil](/molmil-images/mine/7xjx) | The cryo-EM structure of Fe3+ induced alpha-syn fibril. | Descriptor: | Alpha-synuclein | Authors: | Zhao, Q.Y, Tao, Y.Q, Zhao, K, Tao, Y.Q, Li, D. | Deposit date: | 2022-04-18 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural Insights of Fe3+ Induced alpha-synuclein Fibrillation in Parkinson' Disease J.Mol.Biol., 435, 2023
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7YK2
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![BU of 7yk2 by Molmil](/molmil-images/mine/7yk2) | Cryo-EM structure of Apo-alpha-syn fibril | Descriptor: | Alpha-synuclein | Authors: | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | Deposit date: | 2022-07-21 | Release date: | 2023-03-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7YK8
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![BU of 7yk8 by Molmil](/molmil-images/mine/7yk8) | Cryo-EM structure of dLAG3-alpha-syn fibril | Descriptor: | Alpha-synuclein | Authors: | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | Deposit date: | 2022-07-22 | Release date: | 2023-03-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7V4B
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7V4C
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7V47
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![BU of 7v47 by Molmil](/molmil-images/mine/7v47) | |
7V48
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![BU of 7v48 by Molmil](/molmil-images/mine/7v48) | |
7V4A
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![BU of 7v4a by Molmil](/molmil-images/mine/7v4a) | |
7V4D
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![BU of 7v4d by Molmil](/molmil-images/mine/7v4d) | Heparin-remodelled alpha-synuclein fibrils | Descriptor: | Alpha-synuclein | Authors: | Tao, Y.Q, Sun, Y.P, Xia, W.C, Zhao, Q.Y, Liu, C, Li, D. | Deposit date: | 2021-08-12 | Release date: | 2022-08-17 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Heparin-remodelled alpha-synuclein fibrils To Be Published
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7V49
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2PEZ
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![BU of 2pez by Molmil](/molmil-images/mine/2pez) | Crystal structrue of deletion mutant of APS-kinase domain of human PAPS-synthetase 1 in complex with cyclic PAPS and dADP | Descriptor: | (2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (PAPS synthetase 1) (PAPSS 1) (Sulfurylase kinase 1) (SK1) (SK 1) | Authors: | Sekulic, N, Lavie, A. | Deposit date: | 2007-04-03 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural mechanism for substrate inhibition of the adenosine 5'-phosphosulfate kinase domain of human 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 and its ramifications for enzyme regulation. J.Biol.Chem., 282, 2007
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2PEY
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![BU of 2pey by Molmil](/molmil-images/mine/2pey) | Crystal structure of deletion mutant of APS-kinase domain of human PAPS-synthetase 1 | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (PAPS synthetase 1) (PAPSS 1) (Sulfurylase kinase 1) (SK1) (SK 1) | Authors: | Sekulic, N, Lavie, A. | Deposit date: | 2007-04-03 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural mechanism for substrate inhibition of the adenosine 5'-phosphosulfate kinase domain of human 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 and its ramifications for enzyme regulation. J.Biol.Chem., 282, 2007
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6W2G
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![BU of 6w2g by Molmil](/molmil-images/mine/6w2g) | Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell | Descriptor: | 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST. J.Am.Chem.Soc., 145, 2023
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6W2H
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![BU of 6w2h by Molmil](/molmil-images/mine/6w2h) | Crystal Structure of the Internal UBA Domain of HHR23A | Descriptor: | SULFATE ION, UV excision repair protein RAD23 homolog A | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A. Biochemistry, 61, 2022
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6W2I
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![BU of 6w2i by Molmil](/molmil-images/mine/6w2i) | Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A | Descriptor: | GLYCEROL, UV excision repair protein RAD23 homolog A | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST. J.Am.Chem.Soc., 145, 2023
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6X0B
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5LXJ
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2JKH
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![BU of 2jkh by Molmil](/molmil-images/mine/2jkh) | Factor Xa - cation inhibitor complex | Descriptor: | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Salonen, L.M, Bucher, C, Banner, D.W, Benz, J, Haap, W, Mary, J.L, Schweizer, W.B, Seiler, P, Kuster, O, Diederich, F. | Deposit date: | 2008-08-28 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Cation-Pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement Upon Stepwise N-Alkylation of Ammonium Ions. Angew.Chem.Int.Ed.Engl., 48, 2009
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