1FZE
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![BU of 1fze by Molmil](/molmil-images/mine/1fze) | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F. | Deposit date: | 1998-12-23 | Release date: | 1999-06-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide. Biochemistry, 38, 1999
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1G0E
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1FW2
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![BU of 1fw2 by Molmil](/molmil-images/mine/1fw2) | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI | Descriptor: | CALCIUM ION, OUTER MEMBRANE PHOSPHOLIPASE A | Authors: | Snijder, H.J, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | Deposit date: | 2000-09-21 | Release date: | 2001-06-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural investigations of calcium binding and its role in activity and activation of outer membrane phospholipase A from Escherichia coli. J.Mol.Biol., 309, 2001
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1G46
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![BU of 1g46 by Molmil](/molmil-images/mine/1g46) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | Deposit date: | 2000-10-26 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
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1G4H
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![BU of 1g4h by Molmil](/molmil-images/mine/1g4h) | LINB COMPLEXED WITH BUTAN-1-OL | Descriptor: | 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, 1-BUTANOL, CALCIUM ION, ... | Authors: | Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J. | Deposit date: | 2000-10-27 | Release date: | 2001-10-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition. Biochemistry, 41, 2002
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1G5W
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![BU of 1g5w by Molmil](/molmil-images/mine/1g5w) | SOLUTION STRUCTURE OF HUMAN HEART-TYPE FATTY ACID BINDING PROTEIN | Descriptor: | FATTY ACID-BINDING PROTEIN | Authors: | Luecke, C, Rademacher, M, Zimmerman, A, van Moerkerk, H.T.B, Veerkamp, J.H, Rueterjans, H. | Deposit date: | 2000-11-02 | Release date: | 2001-03-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Spin-system heterogeneities indicate a selected-fit mechanism in fatty acid binding to heart-type fatty acid-binding protein (H-FABP). Biochem.J., 354, 2001
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8TBT
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![BU of 8tbt by Molmil](/molmil-images/mine/8tbt) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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8TBU
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![BU of 8tbu by Molmil](/molmil-images/mine/8tbu) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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8TBS
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![BU of 8tbs by Molmil](/molmil-images/mine/8tbs) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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1G9V
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![BU of 1g9v by Molmil](/molmil-images/mine/1g9v) | HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN COMPLEXED WITH A POTENT ALLOSTERIC EFFECTOR | Descriptor: | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ... | Authors: | Safo, M.K, Moure, C.M, Burnett, J.C, Joshi, G.S, Abraham, D.J. | Deposit date: | 2000-11-28 | Release date: | 2000-12-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector. Protein Sci., 10, 2001
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1GBM
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8THN
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![BU of 8thn by Molmil](/molmil-images/mine/8thn) | KcsA M96V mutant with Y78ester in High K+ | Descriptor: | KcsA Fab Heavy Chain, KcsA Fab Light Chain, POTASSIUM ION, ... | Authors: | Reddi, R, Valiyaveetil, F.I. | Deposit date: | 2023-07-17 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A facile approach for incorporating tyrosine esters to probe ion-binding sites and backbone hydrogen bonds. J.Biol.Chem., 300, 2023
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1GG3
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1GGU
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![BU of 1ggu by Molmil](/molmil-images/mine/1ggu) | HUMAN FACTOR XIII WITH CALCIUM BOUND IN THE ION SITE | Descriptor: | CALCIUM ION, PROTEIN (COAGULATION FACTOR XIII) | Authors: | Fox, B.A, Yee, V.C, Pederson, L.C, Trong, I.L, Bishop, P.D, Stenkamp, R.E, Teller, D.C. | Deposit date: | 1998-07-22 | Release date: | 1999-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of the calcium binding site and a novel ytterbium site in blood coagulation factor XIII by x-ray crystallography. J.Biol.Chem., 274, 1999
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8TA5
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![BU of 8ta5 by Molmil](/molmil-images/mine/8ta5) | Title: Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with asymmetric C-terminal | Descriptor: | Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TOQ
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![BU of 8toq by Molmil](/molmil-images/mine/8toq) | ACE2-peptide 1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOS
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![BU of 8tos by Molmil](/molmil-images/mine/8tos) | ACE2-peptide 6 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TA4
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![BU of 8ta4 by Molmil](/molmil-images/mine/8ta4) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with symmetric C-terminal | Descriptor: | CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TOR
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![BU of 8tor by Molmil](/molmil-images/mine/8tor) | ACE2-peptide 2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TA2
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![BU of 8ta2 by Molmil](/molmil-images/mine/8ta2) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with bound inhibitor AK-42 | Descriptor: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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1HYM
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![BU of 1hym by Molmil](/molmil-images/mine/1hym) | HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE) | Descriptor: | HYDROLYZED CUCURBITA MAXIMA TRYPSIN INHIBITOR V | Authors: | Cai, M, Gong, Y, Prakash, O, Krishnamoorthi, R. | Deposit date: | 1995-06-12 | Release date: | 1995-09-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor-V: function, thermodynamic stability, and NMR solution structure. Biochemistry, 34, 1995
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8T53
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![BU of 8t53 by Molmil](/molmil-images/mine/8t53) | S. enterica WbaP in a styrene maleic acid liponanoparticle | Descriptor: | Undecaprenyl-phosphate galactose phosphotransferase | Authors: | Dodge, G.J, Imperiali, B. | Deposit date: | 2023-06-12 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Mapping the architecture of the initiating phosphoglycosyl transferase from S. enterica O-antigen biosynthesis in a liponanoparticle. Elife, 12, 2024
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8TA6
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![BU of 8ta6 by Molmil](/molmil-images/mine/8ta6) | Cryo-EM structure of the human CLC-2 chloride channel C-terminal domain | Descriptor: | Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TOT
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![BU of 8tot by Molmil](/molmil-images/mine/8tot) | ACE2-peptide2 complex crystal form 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TA3
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![BU of 8ta3 by Molmil](/molmil-images/mine/8ta3) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain Apo state with resolved N-terminal hairpin | Descriptor: | CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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