5JH6
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![BU of 5jh6 by Molmil](/molmil-images/mine/5jh6) | Crystal structure of TL10-92 bound to TAK1-TAB1 | Descriptor: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-20 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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1AIZ
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![BU of 1aiz by Molmil](/molmil-images/mine/1aiz) | STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | AZURIN, CADMIUM ION, SULFATE ION | Authors: | Baker, E.N, Anderson, B.F, Blackwell, K.A. | Deposit date: | 1993-11-11 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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8R07
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![BU of 8r07 by Molmil](/molmil-images/mine/8r07) | C-terminal Rel-homology Domain of NFAT1 | Descriptor: | Nuclear factor of activated T-cells, cytoplasmic 2 | Authors: | Zak, K.M, Boettcher, J. | Deposit date: | 2023-10-30 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1. Arch Pharm, 357, 2024
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5JAX
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![BU of 5jax by Molmil](/molmil-images/mine/5jax) | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | Descriptor: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | Deposit date: | 2016-04-12 | Release date: | 2017-04-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.486 Å) | Cite: | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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1AJV
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![BU of 1ajv by Molmil](/molmil-images/mine/1ajv) | HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006 | Descriptor: | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | Authors: | Backbro, K, Unge, T. | Deposit date: | 1997-05-11 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor. J.Med.Chem., 40, 1997
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1AI1
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![BU of 1ai1 by Molmil](/molmil-images/mine/1ai1) | HIV-1 V3 LOOP MIMIC | Descriptor: | AIB142, IGG1-KAPPA 59.1 FAB (HEAVY CHAIN), IGG1-KAPPA 59.1 FAB (LIGHT CHAIN) | Authors: | Ghiara, J.B, Wilson, I.A. | Deposit date: | 1996-11-06 | Release date: | 1997-05-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of a constrained peptide mimic of the HIV-1 V3 loop neutralization site. J.Mol.Biol., 266, 1997
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1AJX
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4PPH
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![BU of 4pph by Molmil](/molmil-images/mine/4pph) | Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M. | Deposit date: | 2014-02-27 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes. Acta Crystallogr.,Sect.D, 71, 2015
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1ADW
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![BU of 1adw by Molmil](/molmil-images/mine/1adw) | PSEUDOAZURIN | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Williams, P.A. | Deposit date: | 1997-02-18 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase. Nat.Struct.Biol., 2, 1995
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5LN4
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![BU of 5ln4 by Molmil](/molmil-images/mine/5ln4) | Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from Yersinia pests, in complex with choline | Descriptor: | CHOLINE ION, pH 6 antigen,pH 6 antigen | Authors: | Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V. | Deposit date: | 2016-08-03 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues. Mol.Microbiol., 102, 2016
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5LP0
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![BU of 5lp0 by Molmil](/molmil-images/mine/5lp0) | |
5JK3
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![BU of 5jk3 by Molmil](/molmil-images/mine/5jk3) | Crystal structure of TL11-128 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-25 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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2E9N
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![BU of 2e9n by Molmil](/molmil-images/mine/2e9n) | Structure of h-CHK1 complexed with A767085 | Descriptor: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2007-01-26 | Release date: | 2008-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors. Bioorg.Med.Chem., 15, 2007
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7TNQ
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![BU of 7tnq by Molmil](/molmil-images/mine/7tnq) | The symmetry-released subpellicular microtubule map from detergent-extracted Toxoplasma cells | Descriptor: | Microtubule associated protein SPM1, PDI family protein, Tubulin alpha chain, ... | Authors: | Sun, S.Y, Pintilie, G.D, Chen, M. | Deposit date: | 2022-01-21 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures. Proc.Natl.Acad.Sci.USA, 119, 2022
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5M30
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![BU of 5m30 by Molmil](/molmil-images/mine/5m30) | Structure of TssK from T6SS EAEC in complex with nanobody nb18 | Descriptor: | Anti-vesicular stomatitis virus N VHH, Type VI secretion protein | Authors: | Nguyen, V.S, Cambillau, C, Spinelli, C, Desmyter, A, Legrand, P, Cascales, E. | Deposit date: | 2016-10-13 | Release date: | 2017-06-21 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex. Nat Microbiol, 2, 2017
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5JOR
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![BU of 5jor by Molmil](/molmil-images/mine/5jor) | Crystal structure of unbound anti-glycan antibody Fab14.22 at 2.2 A | Descriptor: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | Authors: | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | Deposit date: | 2016-05-02 | Release date: | 2017-03-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | T cells control the generation of nanomolar-affinity anti-glycan antibodies. J. Clin. Invest., 127, 2017
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5K6V
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![BU of 5k6v by Molmil](/molmil-images/mine/5k6v) | Sidekick-1 immunoglobulin domains 1-4, 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, Protein sidekick-1, ... | Authors: | Jin, X, Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2016-05-25 | Release date: | 2016-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.208 Å) | Cite: | Molecular basis of sidekick-mediated cell-cell adhesion and specificity. Elife, 5, 2016
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7ADH
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![BU of 7adh by Molmil](/molmil-images/mine/7adh) | |
5K7E
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![BU of 5k7e by Molmil](/molmil-images/mine/5k7e) | The structure of pistol ribozyme, soaked with Mn2+ | Descriptor: | DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER | Authors: | Ren, A, Patel, D. | Deposit date: | 2016-05-26 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage. Nat.Chem.Biol., 12, 2016
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5JOG
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![BU of 5jog by Molmil](/molmil-images/mine/5jog) | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3 | Descriptor: | 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION | Authors: | Renatus, M, Wiesmann, C. | Deposit date: | 2016-05-02 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Targeted inhibition of the COP9 signalosome for treatment of cancer. Nat Commun, 7, 2016
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8RFK
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![BU of 8rfk by Molmil](/molmil-images/mine/8rfk) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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5IM3
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![BU of 5im3 by Molmil](/molmil-images/mine/5im3) | |
8RE0
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![BU of 8re0 by Molmil](/molmil-images/mine/8re0) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-09 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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2ZEY
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![BU of 2zey by Molmil](/molmil-images/mine/2zey) | Family 16 carbohydrate binding module | Descriptor: | CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose, ... | Authors: | Nair, S.K, Bae, B. | Deposit date: | 2007-12-18 | Release date: | 2008-03-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA J.Biol.Chem., 283, 2008
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1C9B
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![BU of 1c9b by Molmil](/molmil-images/mine/1c9b) | |