1P57
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![BU of 1p57 by Molmil](/molmil-images/mine/1p57) | Extracellular domain of human hepsin | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | Authors: | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | Deposit date: | 2003-04-25 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain Structure, 11, 2003
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1OTJ
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![BU of 1otj by Molmil](/molmil-images/mine/1otj) | Crystal structure of APO (iron-free) TauD | Descriptor: | 2-AMINOETHANESULFONIC ACID, Alpha-Ketoglutarate-Dependent Taurine Dioxygenase, CHLORIDE ION | Authors: | O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N. | Deposit date: | 2003-03-21 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate-induced conformational changes in Escherichia coli taurine/alpha-ketoglutarate dioxygenase and insight into the oligomeric structure Biochemistry, 42, 2003
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6AV9
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![BU of 6av9 by Molmil](/molmil-images/mine/6av9) | CryoEM structure of Mical Oxidized Actin (Class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | Authors: | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | Deposit date: | 2017-09-01 | Release date: | 2018-01-17 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Catastrophic disassembly of actin filaments via Mical-mediated oxidation. Nat Commun, 8, 2017
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6B0Q
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![BU of 6b0q by Molmil](/molmil-images/mine/6b0q) | Zinc finger Domain of WT1(-KTS form) with 13+1mer Oligonucleotide with 3' Triplet TGT | Descriptor: | DNA (5'-D(P*AP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*TP*T)-3'), SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-09-14 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
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5T6A
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![BU of 5t6a by Molmil](/molmil-images/mine/5t6a) | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with 5GA | Descriptor: | 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Walker, J.R, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-01 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with SGC-1-9 to be published
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5T6I
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![BU of 5t6i by Molmil](/molmil-images/mine/5t6i) | CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB | Descriptor: | 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | Authors: | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-01 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19 to be published
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5M10
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![BU of 5m10 by Molmil](/molmil-images/mine/5m10) | |
5VBT
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![BU of 5vbt by Molmil](/molmil-images/mine/5vbt) | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor | Descriptor: | UBH04 | Authors: | DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-30 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor to be published
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1MUQ
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![BU of 1muq by Molmil](/molmil-images/mine/1muq) | X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside | Descriptor: | 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CALCIUM ION, Galactose-specific lectin, ... | Authors: | Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M. | Deposit date: | 2002-09-24 | Release date: | 2003-07-01 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure. Biochemistry, 43, 2004
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1MVS
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![BU of 1mvs by Molmil](/molmil-images/mine/1mvs) | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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5N7V
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![BU of 5n7v by Molmil](/molmil-images/mine/5n7v) | TTK kinase domain in complex with MPI-0479605 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R. | Deposit date: | 2017-02-21 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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1N9B
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![BU of 1n9b by Molmil](/molmil-images/mine/1n9b) | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-LACTAMASE SHV-2, ... | Authors: | Nukaga, M, Mayama, K, Hujer, A.M, Bonomo, R.A, Knox, J.R. | Deposit date: | 2002-11-22 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme J.Mol.Biol., 328, 2003
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6D3S
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![BU of 6d3s by Molmil](/molmil-images/mine/6d3s) | Thermostabilized phosphorylated chicken CFTR | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator | Authors: | Fay, J.F, Riordan, J.R, Chen, Z.J. | Deposit date: | 2018-04-16 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel. Biochemistry, 57, 2018
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5T6K
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![BU of 5t6k by Molmil](/molmil-images/mine/5t6k) | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | Descriptor: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-01 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19 to be published
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5T8I
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![BU of 5t8i by Molmil](/molmil-images/mine/5t8i) | PI3Kdelta in complex with the inhibitor GS-9901 | Descriptor: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A. | Deposit date: | 2016-09-07 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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7LNI
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![BU of 7lni by Molmil](/molmil-images/mine/7lni) | SeMet CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | Authors: | Horton, J.R, Cheng, X, Zhou, J. | Deposit date: | 2021-02-07 | Release date: | 2021-05-19 | Last modified: | 2021-07-14 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix. Nat Commun, 12, 2021
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7LT5
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![BU of 7lt5 by Molmil](/molmil-images/mine/7lt5) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Cofactor SAH | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | Authors: | Horton, J.R, Cheng, X, Zhou, J. | Deposit date: | 2021-02-18 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix. Nat Commun, 12, 2021
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5TCM
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![BU of 5tcm by Molmil](/molmil-images/mine/5tcm) | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein | Authors: | Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-15 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 To be published
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7LNJ
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![BU of 7lnj by Molmil](/molmil-images/mine/7lnj) | |
5W8R
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![BU of 5w8r by Molmil](/molmil-images/mine/5w8r) | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
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5WBN
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![BU of 5wbn by Molmil](/molmil-images/mine/5wbn) | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | Deposit date: | 2017-06-29 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain To be published
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5NQ7
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![BU of 5nq7 by Molmil](/molmil-images/mine/5nq7) | Crystal structure of laccases from Pycnoporus sanguineus, izoform I | Descriptor: | COPPER (II) ION, Laccase, PEROXIDE ION, ... | Authors: | Orlikowska, M, de J.Rostro-Alanis, M, Bujacz, A, Hernandez-Luna, C, Rubio, R, Parra, R, Bujacz, G. | Deposit date: | 2017-04-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. Int. J. Biol. Macromol., 107, 2018
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5TF2
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![BU of 5tf2 by Molmil](/molmil-images/mine/5tf2) | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN | Descriptor: | Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION | Authors: | Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target) To be published
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5NQ9
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![BU of 5nq9 by Molmil](/molmil-images/mine/5nq9) | Crystal structure of laccases from Pycnoporus sanguineus, izoform II, monoclinic | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Orlikowska, M, de J.Rostro-Alanis, M, Bujacz, A, Hernandez-Luna, C, Rubio, R, Parra, R, Bujacz, G. | Deposit date: | 2017-04-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. Int. J. Biol. Macromol., 107, 2018
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5V1V
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![BU of 5v1v by Molmil](/molmil-images/mine/5v1v) | TbiB1 in Complex with the TbiA(alpha) Leader Peptide | Descriptor: | TbiA(alpha) Leader Peptide, TbiB1, ZINC ION | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-03-02 | Release date: | 2018-09-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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