3FUN
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3FUE
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3PFW
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![BU of 3pfw by Molmil](/molmil-images/mine/3pfw) | Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD, a binary form | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ... | Authors: | Chaikuad, A, Shafqat, N, Yue, W.W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-29 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS. Biochem.J., 435, 2011
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3Q4A
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2BWV
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![BU of 2bwv by Molmil](/molmil-images/mine/2bwv) | His361Ala Escherichia coli Aminopeptidase P | Descriptor: | AMINOPEPTIDASE P, CHLORIDE ION, MANGANESE (II) ION | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2BWX
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![BU of 2bwx by Molmil](/molmil-images/mine/2bwx) | His354Ala Escherichia coli Aminopeptidase P | Descriptor: | AMINOPEPTIDASE P, CHLORIDE ION, MANGANESE (II) ION | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2BWS
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![BU of 2bws by Molmil](/molmil-images/mine/2bws) | His243Ala Escherichia coli Aminopeptidase P | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, XAA-PRO AMINOPEPTIDASE P | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2BWW
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![BU of 2bww by Molmil](/molmil-images/mine/2bww) | His350Ala Escherichia coli Aminopeptidase P | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, AMINOPEPTIDASE P, CITRATE ANION, ... | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2BWY
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![BU of 2bwy by Molmil](/molmil-images/mine/2bwy) | Glu383Ala Escherichia coli Aminopeptidase P | Descriptor: | AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ... | Authors: | Graham, S.C, Guss, J.M. | Deposit date: | 2005-07-19 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis. Biochemistry, 45, 2006
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2R87
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3QHM
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![BU of 3qhm by Molmil](/molmil-images/mine/3qhm) | Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii | Descriptor: | 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kim, H.-W, Ishikawa, K. | Deposit date: | 2011-01-26 | Release date: | 2012-02-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots Biochem.J., 437, 2011
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8C1S
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![BU of 8c1s by Molmil](/molmil-images/mine/8c1s) | Transmembrane domain of resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma 2 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ... | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
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8C1R
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![BU of 8c1r by Molmil](/molmil-images/mine/8c1r) | Resting state homomeric GluA2 F231A mutant AMPA receptor in complex with TARP gamma-2 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ... | Authors: | Zhang, D, Ivica, J, Krieger, J.M, Ho, H, Yamashita, K, Cais, O, Greger, I. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
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8EU3
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![BU of 8eu3 by Molmil](/molmil-images/mine/8eu3) | Cryo-EM structure of cGMP bound human CNGA3/CNGB3 channel in GDN, transition state 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | Authors: | Hu, Z, Zheng, X, Yang, J. | Deposit date: | 2022-10-18 | Release date: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel. Nat Commun, 14, 2023
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8ETP
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![BU of 8etp by Molmil](/molmil-images/mine/8etp) | Cryo-EM structure of cGMP bound closed state of human CNGA3/CNGB3 channel in GDN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | Authors: | Hu, Z, Zheng, X, Yang, J. | Deposit date: | 2022-10-17 | Release date: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel. Nat Commun, 14, 2023
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1SKX
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![BU of 1skx by Molmil](/molmil-images/mine/1skx) | Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | Descriptor: | Orphan nuclear receptor PXR, RIFAMPICIN | Authors: | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | Deposit date: | 2004-03-05 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin Mol.Endocrinol., 19, 2005
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3K14
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![BU of 3k14 by Molmil](/molmil-images/mine/3k14) | Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-09-25 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
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6FFG
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![BU of 6ffg by Molmil](/molmil-images/mine/6ffg) | Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | Descriptor: | (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chung, C. | Deposit date: | 2018-01-07 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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3IN4
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![BU of 3in4 by Molmil](/molmil-images/mine/3in4) | Bace1 with Compound 38 | Descriptor: | (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2009-08-11 | Release date: | 2010-01-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
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5CXG
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![BU of 5cxg by Molmil](/molmil-images/mine/5cxg) | Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-07-28 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1001 Å) | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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3P0Z
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5CXI
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![BU of 5cxi by Molmil](/molmil-images/mine/5cxi) | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA) | Descriptor: | 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-07-29 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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6X3U
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![BU of 6x3u by Molmil](/molmil-images/mine/6x3u) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus flumazenil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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8FWQ
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![BU of 8fwq by Molmil](/molmil-images/mine/8fwq) | Structure of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-01-23 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel. Cell Rep, 42, 2023
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6CE8
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![BU of 6ce8 by Molmil](/molmil-images/mine/6ce8) | Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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