3UO1
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![BU of 3uo1 by Molmil](/molmil-images/mine/3uo1) | Structure of a monoclonal antibody complexed with its MHC-I antigen | Descriptor: | ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ... | Authors: | Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K. | Deposit date: | 2011-11-16 | Release date: | 2012-07-25 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics. J.Immunol., 189, 2012
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2KZX
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![BU of 2kzx by Molmil](/molmil-images/mine/2kzx) | Solution NMR Structure of A3DHT5 from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR116 | Descriptor: | Uncharacterized protein | Authors: | Mills, J.L, Eletsky, A, Lee, H, Janjua, H, Ciccosanti, C, Wang, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target CmR116 To be Published
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7CHO
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![BU of 7cho by Molmil](/molmil-images/mine/7cho) | Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | Deposit date: | 2020-07-06 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.561 Å) | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHS
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![BU of 7chs by Molmil](/molmil-images/mine/7chs) | Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | Deposit date: | 2020-07-06 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHP
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![BU of 7chp by Molmil](/molmil-images/mine/7chp) | Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | Deposit date: | 2020-07-06 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.357 Å) | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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7CDJ
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![BU of 7cdj by Molmil](/molmil-images/mine/7cdj) | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.396 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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7C6Q
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![BU of 7c6q by Molmil](/molmil-images/mine/7c6q) | Novel natural PPARalpha agonist with a unique binding mode | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha | Authors: | Tian, S.Y, Wang, R, Zheng, W.L, Li, Y. | Deposit date: | 2020-05-22 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition. Molecules, 26, 2021
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7NP1
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![BU of 7np1 by Molmil](/molmil-images/mine/7np1) | Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ... | Authors: | Hall, G, Cowan, R, Carr, M. | Deposit date: | 2021-02-26 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses. Front Immunol, 12, 2021
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5JHH
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![BU of 5jhh by Molmil](/molmil-images/mine/5jhh) | Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11 | Descriptor: | 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ... | Authors: | Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F. | Deposit date: | 2016-04-21 | Release date: | 2017-04-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF To Be Published
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4WWY
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![BU of 4wwy by Molmil](/molmil-images/mine/4wwy) | human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | Deposit date: | 2014-11-12 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates. J.Biol.Chem., 290, 2015
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4WXV
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![BU of 4wxv by Molmil](/molmil-images/mine/4wxv) | Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI) | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | Deposit date: | 2014-11-14 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates. J.Biol.Chem., 290, 2015
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1BBY
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![BU of 1bby by Molmil](/molmil-images/mine/1bby) | DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE | Descriptor: | RAP30 | Authors: | Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H. | Deposit date: | 1998-04-26 | Release date: | 1998-11-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly. Proc.Natl.Acad.Sci.USA, 95, 1998
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7BNV
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![BU of 7bnv by Molmil](/molmil-images/mine/7bnv) | Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-300 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, Light Chain, ... | Authors: | Hall, G, Cowan, R, Carr, M. | Deposit date: | 2021-01-22 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses. Front Immunol, 12, 2021
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4ZA1
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![BU of 4za1 by Molmil](/molmil-images/mine/4za1) | Crystal Structure of NosA Involved in Nosiheptide Biosynthesis | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA | Authors: | Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C. | Deposit date: | 2015-04-13 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis Sci Rep, 5, 2015
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6JYV
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![BU of 6jyv by Molmil](/molmil-images/mine/6jyv) | Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1 | Descriptor: | Probable iron/ascorbate oxidoreductase, SODIUM ION | Authors: | Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M. | Deposit date: | 2019-04-28 | Release date: | 2019-05-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1. Biochem.Biophys.Res.Commun., 514, 2019
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3VFE
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![BU of 3vfe by Molmil](/molmil-images/mine/3vfe) | Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group | Descriptor: | 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6 | Authors: | Chen, X, Zhang, Y, Xia, T, Wang, R. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group. Acs Med.Chem.Lett., 3, 2012
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4DQM
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![BU of 4dqm by Molmil](/molmil-images/mine/4dqm) | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | Descriptor: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | Authors: | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | Deposit date: | 2012-02-16 | Release date: | 2012-10-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
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5JBT
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![BU of 5jbt by Molmil](/molmil-images/mine/5jbt) | Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2) | Descriptor: | Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ... | Authors: | Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S. | Deposit date: | 2016-04-13 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis. J. Biol. Chem., 291, 2016
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6JJP
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![BU of 6jjp by Molmil](/molmil-images/mine/6jjp) | Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ... | Authors: | Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M. | Deposit date: | 2019-02-26 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation. Commun Biol, 2, 2019
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7DK2
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![BU of 7dk2 by Molmil](/molmil-images/mine/7dk2) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ... | Authors: | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S. | Deposit date: | 2020-11-22 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Architectural versatility of spike neutralization by a SARS-CoV-2 antibody To Be Published
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7DK0
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![BU of 7dk0 by Molmil](/molmil-images/mine/7dk0) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ... | Authors: | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2020-11-22 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.199 Å) | Cite: | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction. Commun Biol, 5, 2022
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7DJZ
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![BU of 7djz by Molmil](/molmil-images/mine/7djz) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ... | Authors: | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2020-11-22 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction. Commun Biol, 5, 2022
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2LIA
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![BU of 2lia by Molmil](/molmil-images/mine/2lia) | Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3') | Authors: | Szulik, M.W, Ganguly, M, Wang, R, Gold, B, Stone, M.P. | Deposit date: | 2011-08-26 | Release date: | 2012-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Site-Specific Stabilization of DNA by a Tethered Major Groove Amine, 7-Aminomethyl-7-deaza-2'-deoxyguanosine. Biochemistry, 52, 2013
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5FB8
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![BU of 5fb8 by Molmil](/molmil-images/mine/5fb8) | Structure of Interleukin-16 bound to the 14.1 antibody | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-IL-16 antibody 14.1 Fab domain Heavy Chain, ... | Authors: | Hall, G, Cowan, R, Bayliss, R, Carr, M. | Deposit date: | 2015-12-14 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of a Potential Therapeutic Antibody Bound to Interleukin-16 (IL-16): MECHANISTIC INSIGHTS AND NEW THERAPEUTIC OPPORTUNITIES. J.Biol.Chem., 291, 2016
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