5KQA
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![BU of 5kqa by Molmil](/molmil-images/mine/5kqa) | Crystal structure of buckwheat glutaredoxin-glutathione complex | Descriptor: | GLUTATHIONE, Glutaredoxin-glutathione complex | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | Deposit date: | 2016-07-06 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity J. Inorg. Biochem., 173, 2017
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2VYA
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![BU of 2vya by Molmil](/molmil-images/mine/2vya) | Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | Deposit date: | 2008-07-22 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion. Proc.Natl.Acad.Sci.USA, 105, 2008
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5UJV
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![BU of 5ujv by Molmil](/molmil-images/mine/5ujv) | Crystal structure of FePYR1 in complex with abscisic acid | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PYR1 | Authors: | Ren, Z, Wang, Z, Zhou, X.E, Hong, Y, Cao, M, Chan, Z, Liu, X, Shi, H, Xu, H.E, Zhu, J.-K. | Deposit date: | 2017-01-19 | Release date: | 2017-11-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure determination and activity manipulation of the turfgrass ABA receptor FePYR1. Sci Rep, 7, 2017
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1TIO
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![BU of 1tio by Molmil](/molmil-images/mine/1tio) | HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE | Descriptor: | BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ... | Authors: | Huang, Q, Zhu, G, Wang, Z, Tang, Q. | Deposit date: | 1998-09-17 | Release date: | 1998-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane. Biochim.Biophys.Acta, 1429, 1998
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5UU5
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![BU of 5uu5 by Molmil](/molmil-images/mine/5uu5) | Bacteriophage P22 mature virion capsid protein | Descriptor: | Major capsid protein | Authors: | Hryc, C.F, Chen, D.-H, Afonine, P.V, Jakana, J, Wang, Z, Haase-Pettingell, C, Jiang, W, Adams, P.D, King, J.A, Schmid, M.F, Chiu, W. | Deposit date: | 2017-02-16 | Release date: | 2017-03-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Accurate model annotation of a near-atomic resolution cryo-EM map. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8WIA
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![BU of 8wia by Molmil](/molmil-images/mine/8wia) | Crystal structure of E. coli ThrS catalytic domain mutant G463S | Descriptor: | Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WII
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![BU of 8wii by Molmil](/molmil-images/mine/8wii) | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with Obafluorin | Descriptor: | Threonine--tRNA ligase, ZINC ION, ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIJ
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![BU of 8wij by Molmil](/molmil-images/mine/8wij) | Crystal structure of E. coli ThrS catalytic domain mutant L489M in complex with Obafluorin | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIH
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![BU of 8wih by Molmil](/molmil-images/mine/8wih) | Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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8WIG
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![BU of 8wig by Molmil](/molmil-images/mine/8wig) | Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A | Descriptor: | Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Wang, Z, Wang, J, Fang, P. | Deposit date: | 2023-09-24 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase. Commun Biol, 7, 2024
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6PQP
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![BU of 6pqp by Molmil](/molmil-images/mine/6pqp) | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzylthioformamide, ... | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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6PQQ
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![BU of 6pqq by Molmil](/molmil-images/mine/6pqq) | Cryo-EM structure of human TRPA1 C621S mutant in the apo state | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily A member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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6PQO
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![BU of 6pqo by Molmil](/molmil-images/mine/6pqo) | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist JT010 | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide, ... | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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6Q04
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![BU of 6q04 by Molmil](/molmil-images/mine/6q04) | MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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3EQP
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![BU of 3eqp by Molmil](/molmil-images/mine/3eqp) | Crystal Structure of Ack1 with compound T95 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3EQR
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![BU of 3eqr by Molmil](/molmil-images/mine/3eqr) | Crystal Structure of Ack1 with compound T74 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4IDT
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![BU of 4idt by Molmil](/molmil-images/mine/4idt) | Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) | Descriptor: | 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Liu, J, Sudom, A, Wang, Z. | Deposit date: | 2012-12-13 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
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4IDV
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![BU of 4idv by Molmil](/molmil-images/mine/4idv) | Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V) | Descriptor: | 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Liu, J, Sudom, A, Wang, Z. | Deposit date: | 2012-12-13 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
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4TTH
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![BU of 4tth by Molmil](/molmil-images/mine/4tth) | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | Authors: | Piper, D.E, Walker, N, Wang, Z. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3. J.Med.Chem., 57, 2014
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6ITM
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![BU of 6itm by Molmil](/molmil-images/mine/6itm) | Crystal structure of FXR in complex with agonist XJ034 | Descriptor: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1 | Authors: | Zhang, H, Wang, Z. | Deposit date: | 2018-11-23 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. J.Chem.Inf.Model., 60, 2020
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1JXK
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![BU of 1jxk by Molmil](/molmil-images/mine/1jxk) | Role of ethe mobile loop in the mehanism of human salivary amylase | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z. | Deposit date: | 2001-09-07 | Release date: | 2001-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase J.Mol.Biol., 325, 2003
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1JXJ
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![BU of 1jxj by Molmil](/molmil-images/mine/1jxj) | Role of mobile loop in the mechanism of human salivary amylase | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M. | Deposit date: | 2001-09-07 | Release date: | 2001-09-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity. Eur.J.Biochem., 271, 2004
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4CSU
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![BU of 4csu by Molmil](/molmil-images/mine/4csu) | Cryo-EM structures of the 50S ribosome subunit bound with ObgE | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L11, ... | Authors: | Feng, B, Mandava, C.S, Guo, Q, Wang, J, Cao, W, Li, N, Zhang, Y, Zhang, Y, Wang, Z, Wu, J, Sanyal, S, Lei, J, Gao, N. | Deposit date: | 2014-03-10 | Release date: | 2014-06-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural and Functional Insights Into the Mode of Action of a Universally Conserved Obg Gtpase. Plos Biol., 12, 2014
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1J55
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![BU of 1j55 by Molmil](/molmil-images/mine/1j55) | The Crystal Structure of Ca+-bound Human S100P Determined at 2.0A Resolution by X-ray | Descriptor: | CALCIUM ION, S-100P PROTEIN | Authors: | Zhang, H, Wang, G, Ding, Y, Wang, Z, Barraclough, R, Rudland, P.S, Fernig, D.G, Rao, Z. | Deposit date: | 2002-01-25 | Release date: | 2003-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure at 2A Resolution of the Ca2+-binding Protein S100P J.Mol.Biol., 325, 2003
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2YJY
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![BU of 2yjy by Molmil](/molmil-images/mine/2yjy) | A specific and modular binding code for cytosine recognition in PUF domains | Descriptor: | 5'-R(*AP*UP*UP*GP*CP*AP*UP*AP*UP*AP)-3', PUMILIO HOMOLOG 1 | Authors: | Dong, S, Wang, Y, Cassidy-Amstutz, C, Lu, G, Qiu, C, Bigler, R, Jezyk, M, Li, C, Hall, T.M.T, Wang, Z. | Deposit date: | 2011-05-24 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Specific and Modular Binding Code for Cytosine Recognition in Pumilio/Fbf (Puf) RNA-Binding Domains. J.Biol.Chem., 286, 2011
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