4E4P
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1QYG
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![BU of 1qyg by Molmil](/molmil-images/mine/1qyg) | ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-09-10 | Release date: | 2003-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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1Q0Y
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![BU of 1q0y by Molmil](/molmil-images/mine/1q0y) | Anti-Morphine Antibody 9B1 Complexed with Morphine | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Fab 9B1, Heavy chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1Q0X
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![BU of 1q0x by Molmil](/molmil-images/mine/1q0x) | Anti-morphine Antibody 9B1 Unliganded Form | Descriptor: | Fab 9B1, heavy chain, light chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1RIU
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![BU of 1riu by Molmil](/molmil-images/mine/1riu) | Anti-Cocaine Antibody M82G2 Complexed With Norbenzoylecgonine | Descriptor: | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-11-18 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs To be Published
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1RIV
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![BU of 1riv by Molmil](/molmil-images/mine/1riv) | Anti-Cocaine Antibody M82G2 Complexed With meta-Oxybenzoylecgonine | Descriptor: | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-11-18 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs To be Published
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1RFD
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![BU of 1rfd by Molmil](/molmil-images/mine/1rfd) | ANTI-COCAINE ANTIBODY M82G2 | Descriptor: | Fab M82G2, Heavy Chain, Light Chain | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-11-07 | Release date: | 2003-11-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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1Q72
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![BU of 1q72 by Molmil](/molmil-images/mine/1q72) | Anti-Cocaine Antibody M82G2 Complexed with Cocaine | Descriptor: | COCAINE, Fab M82G2, Heavy chain, ... | Authors: | Pozharski, E, Moulin, A, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-08-15 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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3RDK
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![BU of 3rdk by Molmil](/molmil-images/mine/3rdk) | Protein crystal structure of xylanase A1 of Paenibacillus sp. JDR-2 | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose, CHLORIDE ION, Endo-1,4-beta-xylanase, ... | Authors: | Pozharski, E, St John, F.J. | Deposit date: | 2011-04-01 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Novel structural features of xylanase A1 from Paenibacillus sp. JDR-2. J.Struct.Biol., 180, 2012
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3PHT
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![BU of 3pht by Molmil](/molmil-images/mine/3pht) | |
3RO8
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5K89
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![BU of 5k89 by Molmil](/molmil-images/mine/5k89) | Crystal Structure of Human Calcium-Bound S100A1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | Deposit date: | 2016-05-27 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | X-ray crystal structure of human calcium-bound S100A1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5JXY
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![BU of 5jxy by Molmil](/molmil-images/mine/5jxy) | Enzyme-substrate complex of TDG catalytic domain bound to a G/U analog | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | Authors: | Pidugu, L.S, Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2016-05-13 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues. Nucleic Acids Res., 44, 2016
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5CXP
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![BU of 5cxp by Molmil](/molmil-images/mine/5cxp) | X-ray crystallographic protein structure of the glycoside hydrolase family 30 subfamily 8 xylanase, Xyn30A, from Clostridium acetobutylicum | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Possible xylan degradation enzyme (Glycosyl hydrolase family 30-like domain and Ricin B-like domain), ... | Authors: | St John, F.J, Pozharski, E, Hurlbert, J.C. | Deposit date: | 2015-07-29 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of a GH30 xylanase To Be Published
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8TTW
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![BU of 8ttw by Molmil](/molmil-images/mine/8ttw) | Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074 | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tolbert, W.D, Pozharski, E, Pazgier, M. | Deposit date: | 2023-08-15 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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7RQ6
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![BU of 7rq6 by Molmil](/molmil-images/mine/7rq6) | Cryo-EM structure of SARS-CoV-2 spike in complex with non-neutralizing NTD-directed CV3-13 Fab isolated from convalescent individual | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CV3-13 Fab heavy chain, ... | Authors: | Chen, Y, Pozharski, E, Tolbert, W.D, Pazgier, M. | Deposit date: | 2021-08-05 | Release date: | 2022-04-20 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | A Fc-enhanced NTD-binding non-neutralizing antibody delays virus spread and synergizes with a nAb to protect mice from lethal SARS-CoV-2 infection. Cell Rep, 38, 2022
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4LND
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![BU of 4lnd by Molmil](/molmil-images/mine/4lnd) | Crystal structure of human apurinic/apyrimidinic endonuclease 1 with essential Mg2+ cofactor | Descriptor: | DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | Authors: | Manvilla, B.A, Pozharski, E, Toth, E.A, Drohat, A.C. | Deposit date: | 2013-07-11 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg(2+) cofactor. Acta Crystallogr.,Sect.D, 69, 2013
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7TC3
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![BU of 7tc3 by Molmil](/molmil-images/mine/7tc3) | Human APE1 in the apo form | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.252 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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7TC2
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![BU of 7tc2 by Molmil](/molmil-images/mine/7tc2) | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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5EA2
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![BU of 5ea2 by Molmil](/molmil-images/mine/5ea2) | Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | Deposit date: | 2015-10-15 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. Bmc Struct.Biol., 16, 2016
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5EAI
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![BU of 5eai by Molmil](/molmil-images/mine/5eai) | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | Deposit date: | 2015-10-16 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. Bmc Struct.Biol., 16, 2016
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7KZ0
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![BU of 7kz0 by Molmil](/molmil-images/mine/7kz0) | Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2020-12-09 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021
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7KZG
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![BU of 7kzg by Molmil](/molmil-images/mine/7kzg) | Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2020-12-10 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021
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7KZ1
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![BU of 7kz1 by Molmil](/molmil-images/mine/7kz1) | Human MBD4 glycosylase domain bound to DNA containing an abasic site | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ... | Authors: | Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C. | Deposit date: | 2020-12-09 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021
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4EYC
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![BU of 4eyc by Molmil](/molmil-images/mine/4eyc) | Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD) | Descriptor: | Cathelicidin antimicrobial peptide | Authors: | Pazgier, M, Pozharski, E, Toth, E, Lu, W. | Deposit date: | 2012-05-01 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37. Biochemistry, 52, 2013
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