4RVL
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![BU of 4rvl by Molmil](/molmil-images/mine/4rvl) | CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | Descriptor: | 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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1PO8
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![BU of 1po8 by Molmil](/molmil-images/mine/1po8) | Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution. | Descriptor: | HEPTANOIC ACID, Phospholipase A2, SODIUM ION | Authors: | Singh, G, Jayasankar, J, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2003-06-14 | Release date: | 2004-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution. To be Published
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4S1G
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1POD
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7JHY
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![BU of 7jhy by Molmil](/molmil-images/mine/7jhy) | Type IV-B CRISPR Complex | Descriptor: | Csf2 (Cas7), Csf4 (Cas11), RNA (31-MER) | Authors: | Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2020-07-21 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of a type IV CRISPR-Cas ribonucleoprotein complex. Iscience, 24, 2021
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4NGQ
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![BU of 4ngq by Molmil](/molmil-images/mine/4ngq) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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2WX5
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![BU of 2wx5 by Molmil](/molmil-images/mine/2wx5) | Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T. | Deposit date: | 2009-11-02 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre Biochemistry, 49, 2010
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7JKT
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![BU of 7jkt by Molmil](/molmil-images/mine/7jkt) | Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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5D4K
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5OV5
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![BU of 5ov5 by Molmil](/molmil-images/mine/5ov5) | Bacillus megaterium porphobilinogen deaminase D82E mutant | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | Authors: | Guo, J, Erskine, P, Coker, A.R, Wood, S.P, Cooper, J.B. | Deposit date: | 2017-08-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural studies of domain movement in active-site mutants of porphobilinogen deaminase from Bacillus megaterium. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5D5D
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![BU of 5d5d by Molmil](/molmil-images/mine/5d5d) | In meso in situ serial X-ray crystallography structure of AlgE at 100 K | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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1Z7E
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![BU of 1z7e by Molmil](/molmil-images/mine/1z7e) | Crystal structure of full length ArnA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID, protein ArnA | Authors: | Gatzeva-Topalova, P.Z, May, A.P, Sousa, M.C. | Deposit date: | 2005-03-24 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and Mechanism of ArnA: Conformational Change Implies Ordered Dehydrogenase Mechanism in Key Enzyme for Polymyxin Resistance Structure, 13, 2005
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3EMN
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![BU of 3emn by Molmil](/molmil-images/mine/3emn) | The Crystal Structure of Mouse VDAC1 at 2.3 A resolution | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | Authors: | Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J. | Deposit date: | 2008-09-24 | Release date: | 2008-12-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating Proc.Natl.Acad.Sci.USA, 105, 2008
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7MJ2
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![BU of 7mj2 by Molmil](/molmil-images/mine/7mj2) | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | Deposit date: | 2021-04-19 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis. Proc.Natl.Acad.Sci.USA, 118, 2021
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1ZN1
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![BU of 1zn1 by Molmil](/molmil-images/mine/1zn1) | Coordinates of RRF fitted into Cryo-EM map of the 70S post-termination complex | Descriptor: | 30S ribosomal protein S12, Ribosome recycling factor, ribosomal 16S RNA, ... | Authors: | Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (14.1 Å) | Cite: | Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies. Mol.Cell, 18, 2005
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4AKD
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![BU of 4akd by Molmil](/molmil-images/mine/4akd) | High resolution structure of Mannose Binding lectin from Champedak (CMB) | Descriptor: | CADMIUM ION, CHLORIDE ION, MANNOSE-SPECIFIC LECTIN KM+ | Authors: | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins Acta Crystallogr.,Sect.F, 70, 2014
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2OVM
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![BU of 2ovm by Molmil](/molmil-images/mine/2ovm) | Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR | Descriptor: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor | Authors: | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | Deposit date: | 2007-02-14 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator. Mol.Endocrinol., 21, 2007
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2WUT
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![BU of 2wut by Molmil](/molmil-images/mine/2wut) | Crystal structure of human myelin protein P2 in complex with palmitate | Descriptor: | CHLORIDE ION, GLYCEROL, MYELIN P2 PROTEIN, ... | Authors: | Majava, V, Nanekar, R, Kursula, P. | Deposit date: | 2009-10-09 | Release date: | 2010-05-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Functional Characterization of Human Peripheral Nervous System Myelin Protein P2. Plos One, 5, 2010
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5OOG
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![BU of 5oog by Molmil](/molmil-images/mine/5oog) | Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex | Descriptor: | Flavin reductase (NADPH), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Manso, J.A, Pereira, P.J.B. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | In silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency. J. Biol. Chem., 293, 2018
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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2WXF
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![BU of 2wxf by Molmil](/molmil-images/mine/2wxf) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with PIK-39. | Descriptor: | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXO
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![BU of 2wxo by Molmil](/molmil-images/mine/2wxo) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS5. | Descriptor: | N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2OUB
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![BU of 2oub by Molmil](/molmil-images/mine/2oub) | Crystal structure of the complex formed between phospholipase A2 and atenolol at 2.75 A resolution | Descriptor: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, Phospholipase A2 VRV-PL-VIIIa | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-02-10 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the complex formed between phospholipase A2 and atenolol at 2.75 A resolution To be Published
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1GCS
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![BU of 1gcs by Molmil](/molmil-images/mine/1gcs) | STRUCTURE OF THE BOVINE GAMMA-B CRYSTALLIN AT 150K | Descriptor: | GAMMA-B CRYSTALLIN | Authors: | Najmudin, S, Lindley, P, Slingsby, C, Bateman, O, Myles, D, Kumaraswamy, S, Glover, I. | Deposit date: | 1994-01-27 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Bovine Gamma-B Crystallin at 150K J.CHEM.SOC.,FARADAY TRANS., 89, 1993
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5PBA
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![BU of 5pba by Molmil](/molmil-images/mine/5pba) | PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09460a | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-hydroxypyridine-2-carboxylic acid, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-03 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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