8AXP
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8AX5
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![BU of 8ax5 by Molmil](/molmil-images/mine/8ax5) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | Descriptor: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX6
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![BU of 8ax6 by Molmil](/molmil-images/mine/8ax6) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | Descriptor: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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8AX7
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![BU of 8ax7 by Molmil](/molmil-images/mine/8ax7) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | Descriptor: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2022-08-30 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. Acs Med.Chem.Lett., 13, 2022
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2OTA
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![BU of 2ota by Molmil](/molmil-images/mine/2ota) | Crystal structure of the UPF0352 protein CPS_2611 from Colwellia psychrerythraea. NESG target CsR4. | Descriptor: | UPF0352 protein CPS_2611 | Authors: | Vorobiev, S.M, Zhou, W, Su, M, Seetharaman, J, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-07 | Release date: | 2007-02-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the UPF0352 protein CPS_2611 from Colwellia psychrerythraea. NESG target CsR4. To be Published
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5YNP
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![BU of 5ynp by Molmil](/molmil-images/mine/5ynp) | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to sinefungin and m7GpppA | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, SINEFUNGIN, ZINC ION, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-25 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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5YNB
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![BU of 5ynb by Molmil](/molmil-images/mine/5ynb) | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to Sinefungin | Descriptor: | SINEFUNGIN, ZINC ION, nsp10 protein, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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5YNM
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![BU of 5ynm by Molmil](/molmil-images/mine/5ynm) | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAM and m7GpppA | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, S-ADENOSYLMETHIONINE, ZINC ION, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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2PDD
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![BU of 2pdd by Molmil](/molmil-images/mine/2pdd) | THE HIGH RESOLUTION STRUCTURE OF THE PERIPHERAL SUBUNIT-BINDING DOMAIN OF DIHYDROLIPOAMIDE ACETYLTRANSFERASE FROM THE PYRUVATE DEHYDROGENASE MULTIENZYME COMPLEX OF BACILLUS STEAROTHERMOPHILUS | Descriptor: | DIHYDROLIPOAMIDE ACETYLTRANSFERASE | Authors: | Kalia, Y.N, Brocklehurst, S.M, Hipps, D.S, Appella, E, Sakaguchi, K, Perham, R.N. | Deposit date: | 1992-11-25 | Release date: | 1994-12-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The high-resolution structure of the peripheral subunit-binding domain of dihydrolipoamide acetyltransferase from the pyruvate dehydrogenase multienzyme complex of Bacillus stearothermophilus. J.Mol.Biol., 230, 1993
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2OQN
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5Y3U
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![BU of 5y3u by Molmil](/molmil-images/mine/5y3u) | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) | Descriptor: | PSTD-22AA-PolySia | Authors: | Liao, S.M, Liu, X.H, Lu, B, Peng, L.X, Chen, D, Huang, R.B, Zhou, G.P. | Deposit date: | 2017-07-31 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) To Be Published
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5Y22
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![BU of 5y22 by Molmil](/molmil-images/mine/5y22) | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV | Descriptor: | 22AA-PSTD peptide | Authors: | Lu, B, Liao, S.M, Huang, J.M, Lu, Z.L, Chen, D, Liu, X.H, Zhou, G.P, Huang, R.B. | Deposit date: | 2017-07-23 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV To Be Published
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1BFJ
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![BU of 1bfj by Molmil](/molmil-images/mine/1bfj) | SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | P85 ALPHA | Authors: | Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. | Deposit date: | 1997-11-18 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase. J.Mol.Biol., 276, 1998
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2PCP
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![BU of 2pcp by Molmil](/molmil-images/mine/2pcp) | ANTIBODY FAB COMPLEXED WITH PHENCYCLIDINE | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, IMMUNOGLOBULIN | Authors: | Lim, K, Owens, S.M, Arnold, L, Sacchettini, J.C, Linthicum, D.S. | Deposit date: | 1998-06-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine. J.Biol.Chem., 273, 1998
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2PDE
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![BU of 2pde by Molmil](/molmil-images/mine/2pde) | THE HIGH RESOLUTION STRUCTURE OF THE PERIPHERAL SUBUNIT-BINDING DOMAIN OF DIHYDROLIPOAMIDE ACETYLTRANSFERASE FROM THE PYRUVATE DEHYDROGENASE MULTIENZYME COMPLEX OF BACILLUS STEAROTHERMOPHILUS | Descriptor: | DIHYDROLIPOAMIDE ACETYLTRANSFERASE | Authors: | Kalia, Y.N, Brocklehurst, S.M, Hipps, D.S, Appella, E, Sakaguchi, K, Perham, R.N. | Deposit date: | 1992-11-25 | Release date: | 1994-12-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The high-resolution structure of the peripheral subunit-binding domain of dihydrolipoamide acetyltransferase from the pyruvate dehydrogenase multienzyme complex of Bacillus stearothermophilus. J.Mol.Biol., 230, 1993
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1BFI
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![BU of 1bfi by Molmil](/molmil-images/mine/1bfi) | SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, 30 STRUCTURES | Descriptor: | P85 ALPHA | Authors: | Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. | Deposit date: | 1997-11-18 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase. J.Mol.Biol., 276, 1998
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1AP4
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![BU of 1ap4 by Molmil](/molmil-images/mine/1ap4) | REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE CALCIUM-SATURATED STATE, NMR, 40 STRUCTURES | Descriptor: | CALCIUM ION, CARDIAC N-TROPONIN C | Authors: | Li, M.X, Spyracopoulos, L, Sia, S.K, Gagne, S.M, Chandra, M, Solaro, R.J, Sykes, B.D. | Deposit date: | 1997-07-24 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Calcium-induced structural transition in the regulatory domain of human cardiac troponin C. Biochemistry, 36, 1997
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2LKJ
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![BU of 2lkj by Molmil](/molmil-images/mine/2lkj) | Structures and Interaction Analyses of the Integrin Alpha-M Beta-2 Cytoplasmic Tails | Descriptor: | Integrin alpha-M | Authors: | Chua, G.L, Tang, X.Y, Amalraj, M, Tan, S.M, Bhattacharjya, S. | Deposit date: | 2011-10-12 | Release date: | 2011-11-02 | Last modified: | 2011-11-16 | Method: | SOLUTION NMR | Cite: | Structures and interaction analyses of the integrin alphaMbeta2 cytoplasmic tails J.Biol.Chem., 2011
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4AIQ
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![BU of 4aiq by Molmil](/molmil-images/mine/4aiq) | |
2LCY
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![BU of 2lcy by Molmil](/molmil-images/mine/2lcy) | |
8DAL
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![BU of 8dal by Molmil](/molmil-images/mine/8dal) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-13 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8DDB
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![BU of 8ddb by Molmil](/molmil-images/mine/8ddb) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-17 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8DJY
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![BU of 8djy by Molmil](/molmil-images/mine/8djy) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one | Descriptor: | (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-07-01 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8DDE
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![BU of 8dde by Molmil](/molmil-images/mine/8dde) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol | Descriptor: | (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-17 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8DHN
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![BU of 8dhn by Molmil](/molmil-images/mine/8dhn) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one | Descriptor: | (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-27 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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